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(-)-(4aS,6S,7S)-7-Butyl-2-oxo-1-(S)-(1-phenylethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline-6-carboxylic acid (S)-(1-Phenylethyl)amide

View entire compound with spectra: 1 MS (GC)

(-)-(4aS,6S,7S)-7-Butyl-2-oxo-1-(S)-(1-phenylethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline-6-carboxylic acid (S)-(1-Phenylethyl)amide
SpectraBase Compound ID 2q1DghoRMeu
InChI InChI=1S/C30H38N2O2/c1-4-5-12-25-20-28-26(17-18-29(33)32(28)22(3)24-15-10-7-11-16-24)19-27(25)30(34)31-21(2)23-13-8-6-9-14-23/h6-11,13-16,20-22,25-27H,4-5,12,17-19H2,1-3H3,(H,31,34)/t21-,22-,25-,26-,27-/m0/s1
InChIKey SSTXOHMBGVEWRT-PBSZENBHSA-N
Mol Weight 458.6 g/mol
Molecular Formula C30H38N2O2
Exact Mass 458.293328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AP1XIwyFqmq
Name (-)-(4aS,6S,7S)-7-Butyl-2-oxo-1-(S)-(1-phenylethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline-6-carboxylic acid (S)-(1-Phenylethyl)amide
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H38N2O2
InChI InChI=1S/C30H38N2O2/c1-4-5-12-25-20-28-26(17-18-29(33)32(28)22(3)24-15-10-7-11-16-24)19-27(25)30(34)31-21(2)23-13-8-6-9-14-23/h6-11,13-16,20-22,25-27H,4-5,12,17-19H2,1-3H3,(H,31,34)/t21-,22-,25-,26-,27-/m0/s1
InChIKey SSTXOHMBGVEWRT-PBSZENBHSA-N
Molecular Weight 458.646 g/mol
SMILES N(C([C@]1(C[C@]2(C(N(C(=O)CC2)[C@](c2ccccc2)(C)[H])=C[C@@]1(CCCC)[H])[H])[H])=O)[C@](c1ccccc1)(C)[H]
SPLASH splash10-0udi-0900100000-7184d9d1f932eec084ca
Source of Spectrum F-68-6367-21
Synonyms (-)-(4aS,6S,7S)-7-Butyl-2-oxo-1-(R)-(1-phenylethyl)-1,2,3,4,4a,5,6,7-octahydroquinoline-6-carboxylic acid (S)-(1-Phenylethyl)amide (4aS,6S,7S)-7-butyl-2-oxo-N,1-bis[(1S)-1-phenylethyl]-1,2,3,4,4a,5,6,7-octahydro-6-quinolinecarboxamide
Wiley ID 1573199