| SpectraBase Spectrum ID |
1YnyRY2dq2S |
| Name |
trans-(1S,4S)-4-((2-(4-Methyl-2-oxocyclohexyl)propan-2-yl)thio)benzonitrile |
| Alternate Name(s) |
4-((2-((1S,4S)-4-methyl-2-oxocyclohexyl)propan-2-yl)thio)benzonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H21NOS |
| InChI |
InChI=1S/C17H21NOS/c1-12-4-9-15(16(19)10-12)17(2,3)20-14-7-5-13(11-18)6-8-14/h5-8,12,15H,4,9-10H2,1-3H3/t12-,15-/m0/s1 |
| InChIKey |
MMKQSADSMDMSBO-WFASDCNBSA-N |
| Literature Reference DOI |
10.1021/acs.orglett.6b00208 |
| Molecular Weight |
287.421 g/mol |
| SMILES |
c1cc(ccc1C#N)SC([C@@]1(C(C[C@](CC1)(C)[H])=O)[H])(C)C |
| SPLASH |
splash10-1000-7900000000-9a666107fb0ea42bc53a |
| Source of Spectrum |
A1-18-876/SM19-trans_3k |
| Wiley ID |
1805259 |
