2-Methylnaphthalene
Simulation outputs:
|
Parameter | Value |
| Field strength | 400.13(MHz) | |
| RMSD of the fit | 0.01645 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C11H10/c1-9-6-7-10-4-2-3-5-11(10)8-9/h2-8H,1H3 | |
| Note 1 | lr H-C HSQC |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| 2-methylnaphthalene | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 12 | 13 | 14 | 21 | 17 | 15 | 16 | 18 | 19 | 20 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 12 | 2.508 | -14.9 | -14.9 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 13 | 0 | 2.508 | -14.9 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 14 | 0 | 0 | 2.508 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 21 | 0 | 0 | 0 | 7.605 | 0 | 0 | 0 | 0 | 0.968 | 0 |
| 17 | 0 | 0 | 0 | 0 | 7.744 | 8.399 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 0 | 0 | 7.43 | 7.403 | 0 | 0 | 0 |
| 16 | 0 | 0 | 0 | 0 | 0 | 0 | 7.397 | 8.61 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.735 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.786 | 8.078 |
| 20 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.308 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 2.50812 | 1.0 | standard |
| 7.2981 | 0.0873216 | standard |
| 7.3181 | 0.094308 | standard |
| 7.37477 | 0.0319305 | standard |
| 7.39328 | 0.0808723 | standard |
| 7.41311 | 0.139993 | standard |
| 7.43255 | 0.0862659 | standard |
| 7.45095 | 0.0360195 | standard |
| 7.60461 | 0.161528 | standard |
| 7.72594 | 0.112629 | standard |
| 7.73513 | 0.125401 | standard |
| 7.7451 | 0.11894 | standard |
| 7.75383 | 0.106379 | standard |
| 7.77635 | 0.0972672 | standard |
| 7.79651 | 0.0850286 | standard |
| -0.976051 | 7.9125e-05 | standard |
| 2.50812 | 1.0 | standard |
| 7.19819 | 0.0925901 | standard |
| 7.40519 | 0.241937 | standard |
| 7.49416 | 0.273836 | standard |
| 7.6119 | 0.377835 | standard |
| 7.88506 | 0.126943 | standard |
| -0.947584 | 3.5125e-05 | standard |
| 2.50812 | 1.0 | standard |
| 7.23489 | 0.0902951 | standard |
| 7.36616 | 0.210681 | standard |
| 7.4656 | 0.197382 | standard |
| 7.60724 | 0.253272 | standard |
| 7.71466 | 0.259941 | standard |
| 7.82108 | 0.132697 | standard |
| -0.963157 | 2.0125e-05 | standard |
| 2.50812 | 1.0 | standard |
| 7.25437 | 0.088789 | standard |
| 7.35524 | 0.209982 | standard |
| 7.45356 | 0.174563 | standard |
| 7.60644 | 0.201683 | standard |
| 7.73674 | 0.221202 | standard |
| -0.980316 | 1.6125e-05 | standard |
| 2.50812 | 1.0 | standard |
| 7.26058 | 0.0876512 | standard |
| 7.35417 | 0.193795 | standard |
| 7.4495 | 0.168591 | standard |
| 7.60571 | 0.188649 | standard |
| 7.7088 | 0.194556 | standard |
| 7.74335 | 0.214233 | standard |
| 7.82991 | 0.108572 | standard |
| -0.968513 | 1.3125e-05 | standard |
| 2.50812 | 1.0 | standard |
| 7.26544 | 0.0868532 | standard |
| 7.35153 | 0.165958 | standard |
| 7.44632 | 0.163757 | standard |
| 7.60525 | 0.180868 | standard |
| 7.71023 | 0.184985 | standard |
| 7.74721 | 0.210028 | standard |
| 7.82619 | 0.106278 | standard |
| 2.50812 | 1.0 | standard |
| 7.28744 | 0.0860607 | standard |
| 7.32774 | 0.104275 | standard |
| 7.39018 | 0.100912 | standard |
| 7.4126 | 0.127734 | standard |
| 7.43349 | 0.119235 | standard |
| 7.47165 | 0.0339584 | standard |
| 7.60464 | 0.164296 | standard |
| 7.72505 | 0.147459 | standard |
| 7.76442 | 0.195082 | standard |
| 7.80672 | 0.0899854 | standard |
| 2.50812 | 1.0 | standard |
| 7.29455 | 0.086801 | standard |
| 7.32137 | 0.0965332 | standard |
| 7.36689 | 0.0306414 | standard |
| 7.39158 | 0.0834276 | standard |
| 7.41308 | 0.136267 | standard |
| 7.43366 | 0.0928889 | standard |
| 7.45812 | 0.034125 | standard |
| 7.60461 | 0.162343 | standard |
| 7.73095 | 0.13362 | standard |
| 7.75048 | 0.127181 | standard |
| 7.77264 | 0.113114 | standard |
| 7.79994 | 0.085839 | standard |
| 2.50812 | 1.0 | standard |
| 7.29809 | 0.0873026 | standard |
| 7.3181 | 0.0943161 | standard |
| 7.37473 | 0.0318671 | standard |
| 7.39328 | 0.0808574 | standard |
| 7.41314 | 0.139815 | standard |
| 7.43255 | 0.0862976 | standard |
| 7.45094 | 0.0360256 | standard |
| 7.60461 | 0.161541 | standard |
| 7.72594 | 0.112653 | standard |
| 7.73513 | 0.12543 | standard |
| 7.7451 | 0.118966 | standard |
| 7.75383 | 0.1064 | standard |
| 7.77635 | 0.0972833 | standard |
| 7.79651 | 0.0850156 | standard |
| -0.972182 | 1.125e-06 | standard |
| 2.50812 | 1.0 | standard |
| 7.30016 | 0.0876465 | standard |
| 7.31623 | 0.0930899 | standard |
| 7.37935 | 0.0337611 | standard |
| 7.39433 | 0.080738 | standard |
| 7.41095 | 0.094124 | standard |
| 7.41534 | 0.0917936 | standard |
| 7.43182 | 0.0852353 | standard |
| 7.44667 | 0.0373917 | standard |
| 7.60461 | 0.160385 | standard |
| 7.72718 | 0.106954 | standard |
| 7.73718 | 0.127487 | standard |
| 7.74267 | 0.122674 | standard |
| 7.75245 | 0.100458 | standard |
| 7.77841 | 0.0916966 | standard |
| 7.79441 | 0.084767 | standard |
| 2.50812 | 1.0 | standard |
| 7.30154 | 0.0879554 | standard |
| 7.31495 | 0.0924924 | standard |
| 7.38241 | 0.0353711 | standard |
| 7.39503 | 0.0816132 | standard |
| 7.4084 | 0.0755727 | standard |
| 7.41811 | 0.0722174 | standard |
| 7.43131 | 0.0852228 | standard |
| 7.44381 | 0.0386367 | standard |
| 7.60461 | 0.161068 | standard |
| 7.72825 | 0.103184 | standard |
| 7.73893 | 0.138564 | standard |
| 7.75129 | 0.0973982 | standard |
| 7.77972 | 0.0898714 | standard |
| 7.79309 | 0.0844903 | standard |
| 2.50812 | 1.0 | standard |
| 7.30253 | 0.0881644 | standard |
| 7.31396 | 0.092047 | standard |
| 7.38455 | 0.0367413 | standard |
| 7.39544 | 0.0816052 | standard |
| 7.4069 | 0.0688647 | standard |
| 7.41966 | 0.0659072 | standard |
| 7.431 | 0.0852369 | standard |
| 7.44176 | 0.0395639 | standard |
| 7.60461 | 0.160501 | standard |
| 7.72906 | 0.100535 | standard |
| 7.7398 | 0.159213 | standard |
| 7.75036 | 0.0953177 | standard |
| 7.78061 | 0.0884796 | standard |
| 7.79211 | 0.0841613 | standard |
| 2.50812 | 1.0 | standard |
| 7.30292 | 0.0882634 | standard |
| 7.31356 | 0.0918842 | standard |
| 7.38543 | 0.0373304 | standard |
| 7.39558 | 0.0816329 | standard |
| 7.40635 | 0.0667394 | standard |
| 7.42031 | 0.0639854 | standard |
| 7.43089 | 0.0849748 | standard |
| 7.44093 | 0.0400498 | standard |
| 7.60466 | 0.160533 | standard |
| 7.72941 | 0.0994438 | standard |
| 7.73984 | 0.16878 | standard |
| 7.75 | 0.0945361 | standard |
| 7.78106 | 0.0882162 | standard |
| 7.79167 | 0.0842863 | standard |
| 2.50812 | 1.0 | standard |
| 7.30321 | 0.0882658 | standard |
| 7.31327 | 0.0916619 | standard |
| 7.38611 | 0.0377806 | standard |
| 7.39571 | 0.0820745 | standard |
| 7.40575 | 0.0650115 | standard |
| 7.42086 | 0.0624607 | standard |
| 7.4308 | 0.0849898 | standard |
| 7.44025 | 0.0403974 | standard |
| 7.60461 | 0.160764 | standard |
| 7.72975 | 0.0986328 | standard |
| 7.73982 | 0.17623 | standard |
| 7.74967 | 0.0939246 | standard |
| 7.78135 | 0.0872262 | standard |
| 7.79133 | 0.08439 | standard |
| 2.50812 | 1.0 | standard |
| 7.30381 | 0.0899516 | standard |
| 7.31267 | 0.0899824 | standard |
| 7.38733 | 0.0386995 | standard |
| 7.39591 | 0.0816964 | standard |
| 7.4049 | 0.0624597 | standard |
| 7.4218 | 0.0602243 | standard |
| 7.43064 | 0.08447 | standard |
| 7.43907 | 0.0410363 | standard |
| 7.60461 | 0.161781 | standard |
| 7.7303 | 0.0972026 | standard |
| 7.7398 | 0.17769 | standard |
| 7.74909 | 0.0928318 | standard |
| 7.78189 | 0.086621 | standard |
| 7.79079 | 0.0854594 | standard |
| 2.50812 | 1.0 | standard |
| 7.304 | 0.0898529 | standard |
| 7.31248 | 0.0898787 | standard |
| 7.38782 | 0.0390699 | standard |
| 7.39599 | 0.0821578 | standard |
| 7.40446 | 0.0615701 | standard |
| 7.4222 | 0.0593334 | standard |
| 7.43056 | 0.0848773 | standard |
| 7.43854 | 0.0414209 | standard |
| 7.60461 | 0.160852 | standard |
| 7.73049 | 0.0964691 | standard |
| 7.73981 | 0.170783 | standard |
| 7.7489 | 0.0923375 | standard |
| 7.78214 | 0.085162 | standard |
| 7.79054 | 0.0858031 | standard |
| 2.50812 | 1.0 | standard |
| 7.3043 | 0.0899125 | standard |
| 7.31228 | 0.0899345 | standard |
| 7.38831 | 0.0394422 | standard |
| 7.39608 | 0.0822757 | standard |
| 7.40411 | 0.0606047 | standard |
| 7.4226 | 0.0586184 | standard |
| 7.43049 | 0.0853324 | standard |
| 7.43815 | 0.0415959 | standard |
| 7.60461 | 0.159889 | standard |
| 7.73069 | 0.0958562 | standard |
| 7.73983 | 0.161356 | standard |
| 7.74871 | 0.0919389 | standard |
| 7.78234 | 0.0863936 | standard |
| 7.79035 | 0.0852283 | standard |
| 2.50812 | 1.0 | standard |
| 7.30459 | 0.0898391 | standard |
| 7.31189 | 0.089855 | standard |
| 7.3891 | 0.0401176 | standard |
| 7.39615 | 0.0824857 | standard |
| 7.40347 | 0.059246 | standard |
| 7.42319 | 0.0572991 | standard |
| 7.43043 | 0.0848252 | standard |
| 7.43736 | 0.0421387 | standard |
| 7.60461 | 0.162049 | standard |
| 7.73105 | 0.0950267 | standard |
| 7.74015 | 0.135108 | standard |
| 7.74834 | 0.0914453 | standard |
| 7.78273 | 0.0854193 | standard |
| 7.79 | 0.0852446 | standard |
| 2.50812 | 1.0 | standard |
| 7.30518 | 0.0897667 | standard |
| 7.31139 | 0.0897765 | standard |
| 7.39032 | 0.0419736 | standard |
| 7.3963 | 0.082984 | standard |
| 7.40248 | 0.0563041 | standard |
| 7.42423 | 0.0555834 | standard |
| 7.43032 | 0.0850714 | standard |
| 7.43623 | 0.0428777 | standard |
| 7.60461 | 0.159069 | standard |
| 7.73162 | 0.0920944 | standard |
| 7.73827 | 0.107727 | standard |
| 7.74123 | 0.109124 | standard |
| 7.74776 | 0.0906696 | standard |
| 7.78322 | 0.0859088 | standard |
| 7.78941 | 0.0858029 | standard |