| SpectraBase Spectrum ID |
EjxRMCOnOAC |
| Name |
1.beta.-Cyano-N-phenyl-4.beta.,4.alpha.,5.beta.-trimethyl-1.alpha.,3,4,5.alpha.,9.beta.-hexahydroisoindole |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22N2 |
| InChI |
InChI=1S/C18H22N2/c1-13-9-10-15-16(18(13,2)3)12-20(17(15)11-19)14-7-5-4-6-8-14/h4-10,13,15-17H,12H2,1-3H3/t13-,15+,16-,17-/m1/s1 |
| InChIKey |
NIAPEGZKAWEUJS-XLNGHYISSA-N |
| Molecular Weight |
266.388 g/mol |
| SMILES |
[C@]1(N(C[C@]2(C([C@@](C=C[C@]12[H])(C)[H])(C)C)[H])c1ccccc1)(C#N)[H] |
| SPLASH |
splash10-00kf-0970000000-f2046438ffecda0cc928 |
| Source of Spectrum |
QA-38-54-4 |
| Wiley ID |
861261 |
