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(1R,2R)-N-(phenylmethyl)-2-(phenylmethylsulfanyl)cyclohexan-1-amine

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

(1R,2R)-N-(phenylmethyl)-2-(phenylmethylsulfanyl)cyclohexan-1-amine
SpectraBase Compound ID 7DibFoSIBTl
InChI InChI=1S/C20H25NS/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2/t19-,20-/m1/s1
InChIKey QDWKGPFRIIZDNZ-WOJBJXKFSA-N
Mol Weight 311.49 g/mol
Molecular Formula C20H25NS
Exact Mass 311.170771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KpuVIV1xqC6
Name (1R,2R)-N-(Phenylmethyl)-2-(phenylmethylsulfanyl)cyclohexan-1-amine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.170770983 u
Formula C20H25NS
InChI InChI=1S/C20H25NS/c1-3-9-17(10-4-1)15-21-19-13-7-8-14-20(19)22-16-18-11-5-2-6-12-18/h1-6,9-12,19-21H,7-8,13-16H2/t19-,20-/m1/s1
InChIKey QDWKGPFRIIZDNZ-WOJBJXKFSA-N
SMILES [C@@]1(NCC=2C=CC=CC2)([C@](SCC2=CC=CC=C2)(CCCC1)[H])[H]