5,10,15,20-Tetraphenyl-21H,23H-porphine zinc
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02012 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C44H28N4.Zn/c1-5-13-29(14-6-1)41-33-21-23-35(45-33)42(30-15-7-2-8-16-30)37-25-27-39(47-37)44(32-19-11-4-12-20-32)40-28-26-38(48-40)43(31-17-9-3-10-18-31)36-24-22-34(41)46-36;/h1-28H;/q-2;+2/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40-; | |
| Note 1 | Many sub matrixes and overlap | |
| Note 2 | Oscar Li |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 5,10,15,20-Tetraphenyl-21H,23H-porphine zinc | solute | 100mM |
| Chloroform-d | solvent | 100.0% |
| TMS | reference | 0.05% |
Spin System Matrix
| 49 | 50 | 51 | 52 | 53 | 54 | 55 | 56 | 57 | 58 | 59 | 60 | 61 | 62 | 63 | 64 | 65 | 66 | 67 | 68 | 69 | 70 | 71 | 72 | 73 | 74 | 75 | 76 | |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 49 | 7.774 | 0 | 0 | 0 | 10.076 | 10.076 | 0 | 0 | 0 | 0 | 0 | 0 | 1.434 | 1.434 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 50 | 0 | 7.772 | 0 | 0 | 0 | 0 | 8.274 | 8.274 | 0 | 0 | 0 | 0 | 0 | 0 | 1.333 | 1.333 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 51 | 0 | 0 | 7.773 | 0 | 0 | 0 | 0 | 0 | 8.535 | 8.535 | 0 | 0 | 0 | 0 | 0 | 0 | 1.335 | 1.335 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 52 | 0 | 0 | 0 | 7.775 | 0 | 0 | 0 | 0 | 0 | 0 | 9.926 | 9.926 | 0 | 0 | 0 | 0 | 0 | 0 | 1.445 | 1.445 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 53 | 0 | 0 | 0 | 0 | 7.744 | 1.285 | 0 | 0 | 0 | 0 | 0 | 0 | 7.695 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 54 | 0 | 0 | 0 | 0 | 0 | 7.744 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.695 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 55 | 0 | 0 | 0 | 0 | 0 | 0 | 7.745 | 1.366 | 0 | 0 | 0 | 0 | 0 | 0 | 8.244 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 56 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.745 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.244 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 57 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.744 | 1.285 | 0 | 0 | 0 | 0 | 0 | 0 | 7.705 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 58 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.744 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.705 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 59 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.744 | 1.285 | 0 | 0 | 0 | 0 | 0 | 0 | 7.695 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 60 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.744 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.695 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 61 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 1.643 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 62 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 63 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 1.643 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 64 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 65 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 1.643 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 66 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 67 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 1.643 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 68 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.223 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 69 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 70 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 | 0 | 0 | 0 | 0 | 0 | 0 |
| 71 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 | 0 | 0 | 0 | 0 | 0 |
| 72 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 | 0 | 0 | 0 | 0 |
| 73 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 | 0 | 0 | 0 |
| 74 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 | 0 | 0 |
| 75 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 | 0 |
| 76 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 8.949 |
Spectra
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 7.72332 | 0.0267745 | standard |
| 7.72918 | 0.0394613 | standard |
| 7.74344 | 0.149358 | standard |
| 7.75766 | 0.193946 | standard |
| 7.76211 | 0.130479 | standard |
| 7.77769 | 0.044099 | standard |
| 7.79086 | 0.0111054 | standard |
| 7.79538 | 0.0102847 | standard |
| 7.79899 | 0.00883844 | standard |
| 8.21417 | 0.136117 | standard |
| 8.21777 | 0.137962 | standard |
| 8.22908 | 0.147345 | standard |
| 8.94938 | 1.0 | standard |
| -0.967223 | 2.8125e-05 | standard |
| 7.66387 | 0.142394 | standard |
| 7.75413 | 0.226628 | standard |
| 7.81792 | 0.295824 | standard |
| 7.92364 | 0.0692301 | standard |
| 7.99039 | 0.0488901 | standard |
| 8.12702 | 0.148447 | standard |
| 8.16337 | 0.114411 | standard |
| 8.20503 | 0.120804 | standard |
| 8.30278 | 0.09147 | standard |
| 8.36105 | 0.0584451 | standard |
| 8.94938 | 1.0 | standard |
| -0.98954 | 1.3125e-05 | standard |
| 7.69891 | 0.163861 | standard |
| 7.7275 | 0.153598 | standard |
| 7.75883 | 0.240822 | standard |
| 7.79897 | 0.280707 | standard |
| 7.98276 | 0.0103201 | standard |
| 8.15548 | 0.13125 | standard |
| 8.21644 | 0.133961 | standard |
| 8.27321 | 0.102702 | standard |
| 8.30789 | 0.0706154 | standard |
| 8.94938 | 1.0 | standard |
| -0.913167 | 7.125e-06 | standard |
| 7.6732 | 0.0456483 | standard |
| 7.71487 | 0.171998 | standard |
| 7.76046 | 0.250415 | standard |
| 7.78861 | 0.269401 | standard |
| 8.17103 | 0.12312 | standard |
| 8.2161 | 0.143111 | standard |
| 8.25975 | 0.110366 | standard |
| 8.28438 | 0.0779876 | standard |
| 8.94938 | 1.0 | standard |
| -0.979919 | 6.125e-06 | standard |
| 7.68068 | 0.045732 | standard |
| 7.72019 | 0.173823 | standard |
| 7.7609 | 0.254654 | standard |
| 7.78499 | 0.264061 | standard |
| 8.1764 | 0.121075 | standard |
| 8.21636 | 0.146461 | standard |
| 8.25548 | 0.113208 | standard |
| 8.27694 | 0.0802079 | standard |
| 8.94938 | 1.0 | standard |
| -0.989738 | 5.125e-06 | standard |
| 7.68698 | 0.0456614 | standard |
| 7.72491 | 0.175353 | standard |
| 7.76122 | 0.258497 | standard |
| 7.78208 | 0.258795 | standard |
| 8.18077 | 0.119702 | standard |
| 8.21674 | 0.149301 | standard |
| 8.25213 | 0.115707 | standard |
| 8.27105 | 0.082068 | standard |
| 8.94938 | 1.0 | standard |
| -0.250205 | 1.125e-06 | standard |
| 7.68252 | 0.0105831 | standard |
| 7.71223 | 0.040751 | standard |
| 7.73781 | 0.163665 | standard |
| 7.76064 | 0.261848 | standard |
| 7.76796 | 0.24417 | standard |
| 7.8307 | 0.00596925 | standard |
| 8.20132 | 0.117165 | standard |
| 8.21944 | 0.135904 | standard |
| 8.23765 | 0.131053 | standard |
| 8.24594 | 0.0939971 | standard |
| 8.94938 | 1.0 | standard |
| -0.990135 | 1.125e-06 | standard |
| 7.70582 | 0.0160408 | standard |
| 7.72121 | 0.0376904 | standard |
| 7.72654 | 0.0311202 | standard |
| 7.7411 | 0.154802 | standard |
| 7.75208 | 0.113664 | standard |
| 7.76122 | 0.254044 | standard |
| 7.80283 | 0.00771337 | standard |
| 7.81091 | 0.00806203 | standard |
| 7.81728 | 0.00585304 | standard |
| 8.20847 | 0.123082 | standard |
| 8.21697 | 0.126825 | standard |
| 8.23292 | 0.137455 | standard |
| 8.23795 | 0.102703 | standard |
| 8.94938 | 1.0 | standard |
| 7.71689 | 0.0214881 | standard |
| 7.7262 | 0.0384273 | standard |
| 7.74272 | 0.14913 | standard |
| 7.76046 | 0.232676 | standard |
| 7.77827 | 0.0395203 | standard |
| 7.79351 | 0.00870612 | standard |
| 7.79842 | 0.009695 | standard |
| 7.80571 | 0.00742825 | standard |
| 8.21204 | 0.129863 | standard |
| 8.21726 | 0.132429 | standard |
| 8.23052 | 0.141956 | standard |
| 8.234 | 0.111244 | standard |
| 8.94938 | 1.0 | standard |
| 7.72335 | 0.0267624 | standard |
| 7.72918 | 0.0394794 | standard |
| 7.74344 | 0.149339 | standard |
| 7.75765 | 0.194289 | standard |
| 7.76211 | 0.130252 | standard |
| 7.77769 | 0.044092 | standard |
| 7.79086 | 0.0111084 | standard |
| 7.7954 | 0.0103212 | standard |
| 7.79898 | 0.00882812 | standard |
| 8.21417 | 0.136098 | standard |
| 8.21777 | 0.137941 | standard |
| 8.22908 | 0.147502 | standard |
| 8.94938 | 1.0 | standard |
| 7.72766 | 0.0324776 | standard |
| 7.73131 | 0.0418422 | standard |
| 7.74379 | 0.156181 | standard |
| 7.75568 | 0.153182 | standard |
| 7.76021 | 0.0839146 | standard |
| 7.76322 | 0.0986094 | standard |
| 7.77246 | 0.0286501 | standard |
| 7.77691 | 0.0467736 | standard |
| 7.78662 | 0.0122991 | standard |
| 7.79164 | 0.0114203 | standard |
| 7.79447 | 0.0101437 | standard |
| 8.21563 | 0.138316 | standard |
| 8.21825 | 0.140227 | standard |
| 8.22812 | 0.152424 | standard |
| 8.94938 | 1.0 | standard |
| 7.73276 | 0.045072 | standard |
| 7.74393 | 0.160719 | standard |
| 7.75443 | 0.142584 | standard |
| 7.76422 | 0.0849622 | standard |
| 7.77658 | 0.047267 | standard |
| 7.78384 | 0.013113 | standard |
| 7.78654 | 0.0118101 | standard |
| 7.78743 | 0.01182 | standard |
| 7.78899 | 0.012167 | standard |
| 7.79142 | 0.0112116 | standard |
| 8.2168 | 0.139967 | standard |
| 8.21868 | 0.142617 | standard |
| 8.22746 | 0.154358 | standard |
| 8.94938 | 1.0 | standard |
| 7.73338 | 0.0467313 | standard |
| 7.74396 | 0.160724 | standard |
| 7.75387 | 0.139754 | standard |
| 7.76464 | 0.0812927 | standard |
| 7.77649 | 0.0474922 | standard |
| 7.78284 | 0.0134462 | standard |
| 7.78562 | 0.012286 | standard |
| 7.788 | 0.0124311 | standard |
| 7.79018 | 0.0117182 | standard |
| 8.21723 | 0.140123 | standard |
| 8.21889 | 0.144265 | standard |
| 8.22718 | 0.154955 | standard |
| 8.94938 | 1.0 | standard |
| 7.734 | 0.0487062 | standard |
| 7.74403 | 0.162256 | standard |
| 7.75343 | 0.136989 | standard |
| 7.76504 | 0.0783386 | standard |
| 7.77498 | 0.0468465 | standard |
| 7.77651 | 0.0485155 | standard |
| 7.78199 | 0.0138626 | standard |
| 7.78461 | 0.0125512 | standard |
| 7.78533 | 0.01254 | standard |
| 7.78707 | 0.0127698 | standard |
| 7.7891 | 0.0122371 | standard |
| 8.21769 | 0.14046 | standard |
| 8.21906 | 0.145137 | standard |
| 8.22696 | 0.155931 | standard |
| 8.94938 | 1.0 | standard |
| 7.73498 | 0.0527445 | standard |
| 7.74415 | 0.162023 | standard |
| 7.75259 | 0.132194 | standard |
| 7.76582 | 0.0714377 | standard |
| 7.77439 | 0.0471315 | standard |
| 7.77642 | 0.0508021 | standard |
| 7.78052 | 0.0145378 | standard |
| 7.78296 | 0.0132194 | standard |
| 7.7839 | 0.01307 | standard |
| 7.78558 | 0.0130414 | standard |
| 7.78742 | 0.0129333 | standard |
| 8.21934 | 0.147868 | standard |
| 8.22658 | 0.156522 | standard |
| 8.94938 | 1.0 | standard |
| 7.73542 | 0.0534057 | standard |
| 7.74416 | 0.161302 | standard |
| 7.7522 | 0.131078 | standard |
| 7.76614 | 0.0694509 | standard |
| 7.77417 | 0.0478992 | standard |
| 7.77627 | 0.0526165 | standard |
| 7.78002 | 0.0148903 | standard |
| 7.78233 | 0.0133989 | standard |
| 7.78336 | 0.0132584 | standard |
| 7.78501 | 0.0132577 | standard |
| 7.78662 | 0.013434 | standard |
| 8.21948 | 0.149427 | standard |
| 8.22641 | 0.155494 | standard |
| 8.22736 | 0.147794 | standard |
| 8.94938 | 1.0 | standard |
| 7.73582 | 0.0552659 | standard |
| 7.74424 | 0.161338 | standard |
| 7.75188 | 0.129738 | standard |
| 7.76643 | 0.067109 | standard |
| 7.77397 | 0.0481016 | standard |
| 7.77618 | 0.0533986 | standard |
| 7.77962 | 0.0153351 | standard |
| 7.7819 | 0.0138778 | standard |
| 7.78263 | 0.0137072 | standard |
| 7.7844 | 0.0133615 | standard |
| 7.78601 | 0.0135956 | standard |
| 8.21964 | 0.15064 | standard |
| 8.22629 | 0.156845 | standard |
| 8.22707 | 0.151543 | standard |
| 8.94938 | 1.0 | standard |
| 7.73653 | 0.058379 | standard |
| 7.74429 | 0.159845 | standard |
| 7.75127 | 0.125865 | standard |
| 7.76705 | 0.0638171 | standard |
| 7.77377 | 0.0498914 | standard |
| 7.77592 | 0.0553226 | standard |
| 7.77889 | 0.0160708 | standard |
| 7.78084 | 0.014402 | standard |
| 7.7817 | 0.0139994 | standard |
| 7.78343 | 0.0133972 | standard |
| 7.78486 | 0.0142748 | standard |
| 8.21987 | 0.151469 | standard |
| 8.226 | 0.1559 | standard |
| 8.22668 | 0.151835 | standard |
| 8.94938 | 1.0 | standard |
| 7.73768 | 0.0624395 | standard |
| 7.74437 | 0.15723 | standard |
| 7.75032 | 0.122053 | standard |
| 7.76801 | 0.056081 | standard |
| 7.77368 | 0.0503844 | standard |
| 7.77557 | 0.0553707 | standard |
| 7.77779 | 0.0176811 | standard |
| 7.77947 | 0.0152282 | standard |
| 7.78034 | 0.0145574 | standard |
| 7.78209 | 0.0134019 | standard |
| 7.78318 | 0.015375 | standard |
| 8.22032 | 0.155003 | standard |
| 8.22559 | 0.156973 | standard |
| 8.22618 | 0.155015 | standard |
| 8.94938 | 1.0 | standard |