Fluorene
Simulation outputs:
|
Parameter | Value |
| Field strength | 499.84(MHz) | |
| RMSD of the fit | 0.02413 | |
| Temperature | 298 K | |
| pH | 7.4 | |
| InChI | InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2 | |
| Note 1 | no qm | |
| Note 2 | 21,21?18,19 | |
| Note 3 | 14,17?15,18 |
Sample description:
| Compound | Type | Concentration |
|---|---|---|
| fluorene | Solute | Saturated1 |
| CDCl3 | Solvent | 100% |
| TMS | Reference | 0.5% |
Spin System Matrix
| 22 | 23 | 20 | 15 | 17 | 18 | 19 | 16 | 14 | 21 | |
|---|---|---|---|---|---|---|---|---|---|---|
| 22 | 3.896 | -13.0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 23 | 0 | 3.896 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 |
| 20 | 0 | 0 | 7.541 | 7.465 | 1.5 | 0.5 | 0 | 0 | 0 | 0 |
| 15 | 0 | 0 | 0 | 7.297 | 7.5 | 1.5 | 0 | 0 | 0 | 0 |
| 17 | 0 | 0 | 0 | 0 | 7.37 | 7.435 | 0 | 0 | 0 | 0 |
| 18 | 0 | 0 | 0 | 0 | 0 | 7.786 | 0.5 | 0 | 0 | 0 |
| 19 | 0 | 0 | 0 | 0 | 0 | 0 | 7.786 | 7.435 | 1.5 | 0.5 |
| 16 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.37 | 7.5 | 1.5 |
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.297 | 7.465 |
| 21 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 7.541 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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| PPM | Amplitude | Peak Type |
|---|---|---|
| 3.89573 | 1.0 | standard |
| 7.27979 | 0.13442 | standard |
| 7.282 | 0.138894 | standard |
| 7.2946 | 0.327511 | standard |
| 7.2969 | 0.329265 | standard |
| 7.30939 | 0.223832 | standard |
| 7.31177 | 0.218501 | standard |
| 7.3542 | 0.197835 | standard |
| 7.35664 | 0.205824 | standard |
| 7.36901 | 0.330705 | standard |
| 7.37141 | 0.330056 | standard |
| 7.38385 | 0.151306 | standard |
| 7.38625 | 0.145517 | standard |
| 7.53282 | 0.346183 | standard |
| 7.53482 | 0.348578 | standard |
| 7.54751 | 0.313005 | standard |
| 7.54952 | 0.308932 | standard |
| 7.77802 | 0.340312 | standard |
| 7.77896 | 0.340092 | standard |
| 7.79254 | 0.319326 | standard |
| -0.997177 | 4.7125e-05 | standard |
| 3.89573 | 1.0 | standard |
| 7.19175 | 0.239548 | standard |
| 7.31045 | 0.606163 | standard |
| 7.42742 | 0.939927 | standard |
| 7.56617 | 0.384298 | standard |
| 7.69779 | 0.4372 | standard |
| 7.82422 | 0.26351 | standard |
| 7.91184 | 0.150673 | standard |
| -0.988251 | 2.1125e-05 | standard |
| 3.89573 | 1.0 | standard |
| 7.15564 | 0.0532181 | standard |
| 7.25219 | 0.302206 | standard |
| 7.27483 | 0.28084 | standard |
| 7.32151 | 0.623934 | standard |
| 7.37947 | 0.624276 | standard |
| 7.40743 | 0.59826 | standard |
| 7.4841 | 0.577131 | standard |
| 7.54232 | 0.304589 | standard |
| 7.58786 | 0.167549 | standard |
| 7.63253 | 0.178956 | standard |
| 7.72368 | 0.353446 | standard |
| 7.78541 | 0.212085 | standard |
| 7.81867 | 0.238044 | standard |
| 7.86772 | 0.189239 | standard |
| -0.983787 | 1.2125e-05 | standard |
| 3.89573 | 1.0 | standard |
| 7.19301 | 0.0606011 | standard |
| 7.28255 | 0.379176 | standard |
| 7.32644 | 0.619042 | standard |
| 7.36603 | 0.59645 | standard |
| 7.39642 | 0.452325 | standard |
| 7.45928 | 0.19372 | standard |
| 7.49444 | 0.443996 | standard |
| 7.53236 | 0.296843 | standard |
| 7.55533 | 0.199129 | standard |
| 7.57679 | 0.17369 | standard |
| 7.60568 | 0.181785 | standard |
| 7.73726 | 0.340623 | standard |
| 7.81335 | 0.246477 | standard |
| 7.84547 | 0.213498 | standard |
| -0.90305 | 9.125e-06 | standard |
| 3.89573 | 1.0 | standard |
| 7.18674 | 0.044888 | standard |
| 7.2053 | 0.0650431 | standard |
| 7.28875 | 0.384828 | standard |
| 7.32786 | 0.613727 | standard |
| 7.36266 | 0.548362 | standard |
| 7.39235 | 0.40788 | standard |
| 7.44928 | 0.177058 | standard |
| 7.49905 | 0.403253 | standard |
| 7.53033 | 0.303811 | standard |
| 7.55769 | 0.190059 | standard |
| 7.5732 | 0.181058 | standard |
| 7.59735 | 0.192281 | standard |
| 7.74214 | 0.336209 | standard |
| 7.81135 | 0.251863 | standard |
| 7.83823 | 0.222105 | standard |
| -0.830842 | 7.125e-06 | standard |
| 3.89573 | 1.0 | standard |
| 7.19899 | 0.0488041 | standard |
| 7.21515 | 0.0687599 | standard |
| 7.27245 | 0.24971 | standard |
| 7.2934 | 0.347545 | standard |
| 7.32887 | 0.601892 | standard |
| 7.35778 | 0.473834 | standard |
| 7.38922 | 0.379229 | standard |
| 7.44192 | 0.145906 | standard |
| 7.50269 | 0.385268 | standard |
| 7.52911 | 0.311413 | standard |
| 7.55866 | 0.189243 | standard |
| 7.57023 | 0.189041 | standard |
| 7.59091 | 0.202229 | standard |
| 7.74616 | 0.332482 | standard |
| 7.80971 | 0.257728 | standard |
| 7.83248 | 0.229582 | standard |
| -0.72382 | 2.125e-06 | standard |
| 3.89573 | 1.0 | standard |
| 7.25114 | 0.0877211 | standard |
| 7.25799 | 0.0986336 | standard |
| 7.28806 | 0.275712 | standard |
| 7.29461 | 0.292987 | standard |
| 7.32293 | 0.335027 | standard |
| 7.33168 | 0.463321 | standard |
| 7.34129 | 0.310529 | standard |
| 7.36905 | 0.307368 | standard |
| 7.37662 | 0.311797 | standard |
| 7.40578 | 0.127123 | standard |
| 7.41354 | 0.110489 | standard |
| 7.52071 | 0.353545 | standard |
| 7.5291 | 0.345032 | standard |
| 7.5563 | 0.262312 | standard |
| 7.56388 | 0.260959 | standard |
| 7.76572 | 0.332319 | standard |
| 7.80061 | 0.291736 | standard |
| 7.80756 | 0.277599 | standard |
| 3.89573 | 1.0 | standard |
| 7.2675 | 0.111103 | standard |
| 7.27157 | 0.118083 | standard |
| 7.2921 | 0.307107 | standard |
| 7.29614 | 0.314169 | standard |
| 7.31616 | 0.258146 | standard |
| 7.32073 | 0.249843 | standard |
| 7.34445 | 0.211188 | standard |
| 7.34935 | 0.232133 | standard |
| 7.36901 | 0.318084 | standard |
| 7.37346 | 0.321755 | standard |
| 7.3936 | 0.138397 | standard |
| 7.3981 | 0.128248 | standard |
| 7.52742 | 0.352008 | standard |
| 7.53162 | 0.347643 | standard |
| 7.55167 | 0.292329 | standard |
| 7.55566 | 0.288741 | standard |
| 7.77258 | 0.336671 | standard |
| 7.7752 | 0.334173 | standard |
| 7.79645 | 0.304894 | standard |
| 7.79966 | 0.300006 | standard |
| 3.89573 | 1.0 | standard |
| 7.27523 | 0.124566 | standard |
| 7.27819 | 0.130373 | standard |
| 7.29375 | 0.321706 | standard |
| 7.2967 | 0.324997 | standard |
| 7.31214 | 0.238421 | standard |
| 7.31514 | 0.231907 | standard |
| 7.35053 | 0.201567 | standard |
| 7.35375 | 0.214091 | standard |
| 7.36902 | 0.325694 | standard |
| 7.37209 | 0.326839 | standard |
| 7.38752 | 0.146583 | standard |
| 7.39061 | 0.139268 | standard |
| 7.53075 | 0.345743 | standard |
| 7.53354 | 0.347571 | standard |
| 7.54918 | 0.306589 | standard |
| 7.55169 | 0.303413 | standard |
| 7.77598 | 0.340483 | standard |
| 7.77737 | 0.339364 | standard |
| 7.7941 | 0.315521 | standard |
| 3.89573 | 1.0 | standard |
| 7.27979 | 0.13454 | standard |
| 7.282 | 0.138976 | standard |
| 7.2946 | 0.32747 | standard |
| 7.2969 | 0.329193 | standard |
| 7.30939 | 0.223989 | standard |
| 7.31175 | 0.218412 | standard |
| 7.3542 | 0.197799 | standard |
| 7.35664 | 0.205742 | standard |
| 7.36901 | 0.330685 | standard |
| 7.37141 | 0.330148 | standard |
| 7.38385 | 0.151258 | standard |
| 7.38625 | 0.145489 | standard |
| 7.53282 | 0.345904 | standard |
| 7.53482 | 0.348335 | standard |
| 7.54751 | 0.312876 | standard |
| 7.54952 | 0.30884 | standard |
| 7.77801 | 0.340358 | standard |
| 7.77897 | 0.340161 | standard |
| 7.79255 | 0.319449 | standard |
| 3.89573 | 1.0 | standard |
| 7.28276 | 0.140475 | standard |
| 7.28461 | 0.144391 | standard |
| 7.29514 | 0.332257 | standard |
| 7.29697 | 0.333533 | standard |
| 7.30747 | 0.216423 | standard |
| 7.30935 | 0.212143 | standard |
| 7.35673 | 0.195799 | standard |
| 7.35865 | 0.201714 | standard |
| 7.36907 | 0.333346 | standard |
| 7.37098 | 0.332903 | standard |
| 7.38144 | 0.154833 | standard |
| 7.38335 | 0.15004 | standard |
| 7.53424 | 0.345868 | standard |
| 7.53569 | 0.348689 | standard |
| 7.54646 | 0.318968 | standard |
| 7.54802 | 0.315603 | standard |
| 7.77934 | 0.339805 | standard |
| 7.78002 | 0.339667 | standard |
| 7.79158 | 0.324387 | standard |
| 3.89573 | 1.0 | standard |
| 7.2848 | 0.145256 | standard |
| 7.28635 | 0.149008 | standard |
| 7.29543 | 0.335298 | standard |
| 7.29697 | 0.336352 | standard |
| 7.30604 | 0.211465 | standard |
| 7.3076 | 0.207378 | standard |
| 7.35854 | 0.19595 | standard |
| 7.36015 | 0.201045 | standard |
| 7.36912 | 0.333881 | standard |
| 7.37076 | 0.333022 | standard |
| 7.3797 | 0.154165 | standard |
| 7.3814 | 0.149793 | standard |
| 7.53512 | 0.346106 | standard |
| 7.53638 | 0.34868 | standard |
| 7.54568 | 0.322146 | standard |
| 7.54692 | 0.319289 | standard |
| 7.78083 | 0.337391 | standard |
| 7.79068 | 0.332057 | standard |
| 3.89573 | 1.0 | standard |
| 7.28569 | 0.148407 | standard |
| 7.28705 | 0.15205 | standard |
| 7.29563 | 0.340001 | standard |
| 7.29696 | 0.340715 | standard |
| 7.30554 | 0.210758 | standard |
| 7.3069 | 0.206964 | standard |
| 7.35925 | 0.194045 | standard |
| 7.36076 | 0.198797 | standard |
| 7.36916 | 0.336848 | standard |
| 7.37062 | 0.334712 | standard |
| 7.37908 | 0.156666 | standard |
| 7.38054 | 0.152762 | standard |
| 7.5355 | 0.342032 | standard |
| 7.53669 | 0.34412 | standard |
| 7.54536 | 0.319729 | standard |
| 7.54655 | 0.316893 | standard |
| 7.78067 | 0.336851 | standard |
| 7.79037 | 0.332736 | standard |
| 3.89573 | 1.0 | standard |
| 7.28635 | 0.14901 | standard |
| 7.28768 | 0.152798 | standard |
| 7.29569 | 0.338154 | standard |
| 7.297 | 0.338765 | standard |
| 7.30501 | 0.207548 | standard |
| 7.30634 | 0.20356 | standard |
| 7.3599 | 0.193194 | standard |
| 7.36128 | 0.197893 | standard |
| 7.36916 | 0.335956 | standard |
| 7.37054 | 0.333908 | standard |
| 7.37847 | 0.157813 | standard |
| 7.37987 | 0.153927 | standard |
| 7.53591 | 0.34108 | standard |
| 7.53699 | 0.346283 | standard |
| 7.54507 | 0.323617 | standard |
| 7.54613 | 0.318457 | standard |
| 7.78139 | 0.339527 | standard |
| 7.79011 | 0.333902 | standard |
| 3.89573 | 1.0 | standard |
| 7.28759 | 0.15184 | standard |
| 7.28877 | 0.155232 | standard |
| 7.29585 | 0.338344 | standard |
| 7.29702 | 0.338716 | standard |
| 7.3041 | 0.20377 | standard |
| 7.30529 | 0.200162 | standard |
| 7.36096 | 0.19202 | standard |
| 7.36218 | 0.196116 | standard |
| 7.36922 | 0.336576 | standard |
| 7.37042 | 0.335535 | standard |
| 7.37747 | 0.159011 | standard |
| 7.3787 | 0.155008 | standard |
| 7.53639 | 0.344557 | standard |
| 7.53738 | 0.347118 | standard |
| 7.5447 | 0.32522 | standard |
| 7.54552 | 0.323007 | standard |
| 7.78194 | 0.33644 | standard |
| 7.78963 | 0.335882 | standard |
| 3.89573 | 1.0 | standard |
| 7.28808 | 0.153403 | standard |
| 7.28918 | 0.156708 | standard |
| 7.29589 | 0.339001 | standard |
| 7.29699 | 0.340071 | standard |
| 7.30369 | 0.200038 | standard |
| 7.30488 | 0.196385 | standard |
| 7.36135 | 0.188895 | standard |
| 7.36259 | 0.193033 | standard |
| 7.36923 | 0.337355 | standard |
| 7.37035 | 0.336788 | standard |
| 7.37706 | 0.159909 | standard |
| 7.37821 | 0.156295 | standard |
| 7.5367 | 0.338824 | standard |
| 7.53759 | 0.344675 | standard |
| 7.54448 | 0.321804 | standard |
| 7.54539 | 0.322652 | standard |
| 7.78201 | 0.337004 | standard |
| 7.7894 | 0.336084 | standard |
| 3.89573 | 1.0 | standard |
| 7.28845 | 0.152082 | standard |
| 7.2896 | 0.155874 | standard |
| 7.29598 | 0.340738 | standard |
| 7.297 | 0.341394 | standard |
| 7.3034 | 0.202262 | standard |
| 7.30442 | 0.199092 | standard |
| 7.36183 | 0.19178 | standard |
| 7.36288 | 0.195421 | standard |
| 7.36922 | 0.334669 | standard |
| 7.37034 | 0.334048 | standard |
| 7.37668 | 0.161822 | standard |
| 7.37773 | 0.158072 | standard |
| 7.53691 | 0.344401 | standard |
| 7.53767 | 0.346952 | standard |
| 7.54431 | 0.329275 | standard |
| 7.54505 | 0.327206 | standard |
| 7.78233 | 0.331669 | standard |
| 7.78922 | 0.3321 | standard |
| 3.89573 | 1.0 | standard |
| 7.28923 | 0.157917 | standard |
| 7.29021 | 0.1612 | standard |
| 7.29605 | 0.33906 | standard |
| 7.29702 | 0.339181 | standard |
| 7.30278 | 0.196049 | standard |
| 7.30376 | 0.193294 | standard |
| 7.36251 | 0.188809 | standard |
| 7.3635 | 0.191759 | standard |
| 7.36927 | 0.336735 | standard |
| 7.37026 | 0.336014 | standard |
| 7.37603 | 0.16156 | standard |
| 7.37704 | 0.157698 | standard |
| 7.5373 | 0.336037 | standard |
| 7.53797 | 0.33888 | standard |
| 7.544 | 0.331447 | standard |
| 7.54466 | 0.328768 | standard |
| 7.78261 | 0.335026 | standard |
| 7.78904 | 0.339547 | standard |
| 3.89573 | 1.0 | standard |
| 7.29051 | 0.163805 | standard |
| 7.29121 | 0.16666 | standard |
| 7.29618 | 0.342073 | standard |
| 7.29695 | 0.343024 | standard |
| 7.30196 | 0.195749 | standard |
| 7.30267 | 0.193066 | standard |
| 7.36357 | 0.185521 | standard |
| 7.36443 | 0.188989 | standard |
| 7.36932 | 0.339594 | standard |
| 7.37011 | 0.339508 | standard |
| 7.37503 | 0.163539 | standard |
| 7.37588 | 0.160007 | standard |
| 7.53793 | 0.344816 | standard |
| 7.53834 | 0.346233 | standard |
| 7.54347 | 0.33202 | standard |
| 7.5441 | 0.328688 | standard |
| 7.78278 | 0.339912 | standard |
| 7.78851 | 0.334298 | standard |