| SpectraBase Spectrum ID |
871572YsVx3 |
| Name |
(Phenylmethyl) N-[(1R,2R)-2-cyclohexylsulfanylcyclohexyl]carbamate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
347.191900350 u |
| Formula |
C20H29NO2S |
| InChI |
InChI=1S/C20H29NO2S/c22-20(23-15-16-9-3-1-4-10-16)21-18-13-7-8-14-19(18)24-17-11-5-2-6-12-17/h1,3-4,9-10,17-19H,2,5-8,11-15H2,(H,21,22)/t18-,19-/m1/s1 |
| InChIKey |
ZHPNBXAVTJVRMR-RTBURBONSA-N |
| Molecular Weight |
347.517 g/mol |
| SMILES |
C(N[C@]1([C@](SC2CCCCC2)(CCCC1)[H])[H])(=O)OCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933658 |
![(phenylmethyl) N-[(1R,2R)-2-cyclohexylsulfanylcyclohexyl]carbamate](/api/spectrum/871572YsVx3/structure.png?h=300&w=458 "(phenylmethyl) N-[(1R,2R)-2-cyclohexylsulfanylcyclohexyl]carbamate")
