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N-((1R*,2R*,3R*)-3-butyl-2-phenylcyclohexyl)-4-methoxyaniline
SpectraBase Compound ID IgPZCUgtrvf
InChI InChI=1S/C23H31NO/c1-3-4-9-18-12-8-13-22(23(18)19-10-6-5-7-11-19)24-20-14-16-21(25-2)17-15-20/h5-7,10-11,14-18,22-24H,3-4,8-9,12-13H2,1-2H3/t18-,22-,23-/m1/s1
InChIKey UDQXBXLXBLKHTE-SXSPYAJSSA-N
Mol Weight 337.51 g/mol
Molecular Formula C23H31NO
Exact Mass 337.240565 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FuVzd3hDBOK
Name N-((1R*,2R*,3R*)-3-butyl-2-phenylcyclohexyl)-4-methoxyaniline
Alternate Name(s) N-((1R,2R,3R)-3-butyl-2-phenylcyclohexyl)-4-methoxyaniline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31NO
InChI InChI=1S/C23H31NO/c1-3-4-9-18-12-8-13-22(23(18)19-10-6-5-7-11-19)24-20-14-16-21(25-2)17-15-20/h5-7,10-11,14-18,22-24H,3-4,8-9,12-13H2,1-2H3/t18-,22-,23-/m1/s1
InChIKey UDQXBXLXBLKHTE-SXSPYAJSSA-N
Literature Reference DOI 10.1039/C5CC09837H
Molecular Weight 337.507 g/mol
SMILES N(c1ccc(cc1)OC)[C@]1([C@]([C@@](CCC1)(CCCC)[H])(c1ccccc1)[H])[H]
SPLASH splash10-000i-1906000000-bc396f7ba2ff45e3f3b9
Source of Spectrum KD-52-2382/SM29-4f
Wiley ID 1803744