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

View entire compound with spectra: 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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 508srmQKRM
Name (1S*,2R*,3R*)-3-Butyl-2-phenylcyclohexan-1-amine
Alternate Name(s) (1S,2R,3R)-3-butyl-2-phenylcyclohexan-1-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 231.383 g/mol
SMILES N[C@@]1([C@]([C@@](CCC1)(CCCC)[H])(c1ccccc1)[H])[H]
SPLASH splash10-052g-4910000000-695a21f6e06313e256eb
Source of Spectrum KD-52-2382/SM28-4e
Wiley ID 1803743