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(1S*,2R*,3R*)-3-Butyl-2-phenylcyclohexan-1-amine

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

(1S*,2R*,3R*)-3-Butyl-2-phenylcyclohexan-1-amine
SpectraBase Compound ID 7xAoimO9jh9
InChI InChI=1S/C16H25N/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14/h4-6,9-10,13,15-16H,2-3,7-8,11-12,17H2,1H3/t13-,15+,16-/m1/s1
InChIKey ZYYNTDFIFSDLLL-VNQPRFMTSA-N
Mol Weight 231.38 g/mol
Molecular Formula C16H25N
Exact Mass 231.1987 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID JcTXKxphk2A
Name (1S*,2R*,3R*)-3-Butyl-2-phenylcyclohexan-1-amine
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 231.198699809 u
Formula C16H25N
InChI InChI=1S/C16H25N/c1-2-3-8-13-11-7-12-15(17)16(13)14-9-5-4-6-10-14/h4-6,9-10,13,15-16H,2-3,7-8,11-12,17H2,1H3/t13-,15+,16-/m1/s1
InChIKey ZYYNTDFIFSDLLL-VNQPRFMTSA-N
Molecular Weight 231.383 g/mol
SMILES [C@@]1([C@]([C@@](CCC1)(CCCC)[H])(C=1C=CC=CC1)[H])(N)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842235