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(phenylmethyl) N-[(1R,2R)-2-cyclohexylsulfanylcyclohexyl]carbamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(phenylmethyl) N-[(1R,2R)-2-cyclohexylsulfanylcyclohexyl]carbamate
SpectraBase Compound ID 2G0mWg0VyCp
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
Mol Weight 347.52 g/mol
Molecular Formula C20H29NO2S
Exact Mass 347.1919 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CvDbsEixK2i
Name (Phenylmethyl) N-[(1R,2R)-2-cyclohexylsulfanylcyclohexyl]carbamate
Comments Computed using HOSE algorithm
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