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(.beta.1R)-.beta.,1-Dimethyl-N-[(1S)-1-phenylethyl]-2-oxocyclohexanepropanamide
SpectraBase Compound ID BxxBKlQsoqH
InChI InChI=1S/C19H27NO2/c1-14(19(3)12-8-7-11-17(19)21)13-18(22)20-15(2)16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,20,22)/t14-,15?,19+/m0/s1
InChIKey JZQBFFNUJQXBCL-CTHAPGQVSA-N
Mol Weight 301.43 g/mol
Molecular Formula C19H27NO2
Exact Mass 301.204179 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 85wSYJLMRxA
Name (.beta.1R)-.beta.,1-Dimethyl-N-[(1S)-1-phenylethyl]-2-oxocyclohexanepropanamide
Alternate Name(s) (3S)-3-[(1R)-1-methyl-2-oxocyclohexyl]-N-(1-phenylethyl)butanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H27NO2
InChI InChI=1S/C19H27NO2/c1-14(19(3)12-8-7-11-17(19)21)13-18(22)20-15(2)16-9-5-4-6-10-16/h4-6,9-10,14-15H,7-8,11-13H2,1-3H3,(H,20,22)/t14-,15?,19+/m0/s1
InChIKey JZQBFFNUJQXBCL-CTHAPGQVSA-N
Molecular Weight 301.430 g/mol
SMILES N(C(C[C@@]([C@@]1(C(=O)CCCC1)C)(C)[H])=O)C(c1ccccc1)C
SPLASH splash10-0ab9-2900000000-0a2f3c20d5efc69f2e91
Source of Spectrum QC-6-1809-13
Wiley ID 868945