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Cyclohexanebutanamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N,2-dimethyl-3-oxo-, [1R-[1.alpha.(1S*,2R*),2.beta.]]-
SpectraBase Compound ID EKddNCBWp99
InChI InChI=1S/C21H31NO3/c1-15-17(11-7-13-19(15)23)12-8-14-20(24)22(3)16(2)21(25)18-9-5-4-6-10-18/h4-6,9-10,15-17,21,25H,7-8,11-14H2,1-3H3/t15-,16?,17+,21?/m1/s1
InChIKey IBNZQPAYQNDREE-BAQZJKQNSA-N
Mol Weight 345.48 g/mol
Molecular Formula C21H31NO3
Exact Mass 345.230394 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JXIlzB4Ilhb
Name Cyclohexanebutanamide, N-(2-hydroxy-1-methyl-2-phenylethyl)-N,2-dimethyl-3-oxo-, [1R-[1.alpha.(1S*,2R*),2.beta.]]-
Alternate Name(s) (1''S,2''R)-N-(2''-hydroxy-1''-methyl-2''-phenylethyl)-N-methyl-4-(2'-methyl-3'-oxocyclohexyl)butyramide (1''S,2''R)-N-(2''-Hydroxy-1''-methyl-2''-phenylethyl)-N-methyl-4-(2'-methyl-3'-oxocyclohexyl)butyramide N-(2-hydroxy-1-methyl-2-phenylethyl)-N-methyl-4-[(1S,2R)-2-methyl-3-oxocyclohexyl]butanamide
CAS Registry Number 92542-84-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31NO3
InChI InChI=1S/C21H31NO3/c1-15-17(11-7-13-19(15)23)12-8-14-20(24)22(3)16(2)21(25)18-9-5-4-6-10-18/h4-6,9-10,15-17,21,25H,7-8,11-14H2,1-3H3/t15-,16?,17+,21?/m1/s1
InChIKey IBNZQPAYQNDREE-BAQZJKQNSA-N
Molecular Weight 345.483 g/mol
SMILES OC(C(N(C(=O)CCC[C@]1([C@](C(=O)CCC1)(C)[H])[H])C)C)c1ccccc1
SPLASH splash10-0a4i-9100000000-897a9bfd929d12b37ff4
Source of Spectrum H-67-853-0
Wiley ID 1338771