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(1R,2R)-2-(4-methylphenyl)sulfanyl-N-(phenylmethyl)cyclohexan-1-amine

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

(1R,2R)-2-(4-methylphenyl)sulfanyl-N-(phenylmethyl)cyclohexan-1-amine
SpectraBase Compound ID 591yDILskSA
InChI InChI=1S/C20H25NS/c1-16-11-13-18(14-12-16)22-20-10-6-5-9-19(20)21-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3/t19-,20-/m1/s1
InChIKey IISUXCOPKOWHRG-WOJBJXKFSA-N
Mol Weight 311.49 g/mol
Molecular Formula C20H25NS
Exact Mass 311.170771 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8CKJQW4iBET
Name (1R,2R)-2-(4-Methylphenyl)sulfanyl-N-(phenylmethyl)cyclohexan-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.170770983 u
Formula C20H25NS
InChI InChI=1S/C20H25NS/c1-16-11-13-18(14-12-16)22-20-10-6-5-9-19(20)21-15-17-7-3-2-4-8-17/h2-4,7-8,11-14,19-21H,5-6,9-10,15H2,1H3/t19-,20-/m1/s1
InChIKey IISUXCOPKOWHRG-WOJBJXKFSA-N
SMILES [C@@]1(SC2=CC=C(C=C2)C)([C@](NCC=2C=CC=CC2)(CCCC1)[H])[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.948836