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4a-Methyl-1-[(S)-.alpha.-(carbomethoxy)benzyl]-1,3,4,5,6,7-hexahydroquinoline-2-one isomer
SpectraBase Compound ID DWyTsFfbvoL
InChI InChI=1S/C19H23NO3/c1-19-12-7-6-10-15(19)20(16(21)11-13-19)17(18(22)23-2)14-8-4-3-5-9-14/h3-5,8-10,17H,6-7,11-13H2,1-2H3/t17-,19?/m0/s1
InChIKey JNVSZPQBXXNISL-KKFHFHRHSA-N
Mol Weight 313.4 g/mol
Molecular Formula C19H23NO3
Exact Mass 313.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4N3mU6hsT9p
Name 4a-Methyl-1-[(S)-.alpha.-(carbomethoxy)benzyl]-1,3,4,5,6,7-hexahydroquinoline-2-one isomer
Alternate Name(s) Methyl (2S)-(4a-methyl-2-oxo-3,4,4a,5,6,7-hexahydro-1(2H)-quinolinyl)(phenyl)ethanoate
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Formula C19H23NO3
InChI InChI=1S/C19H23NO3/c1-19-12-7-6-10-15(19)20(16(21)11-13-19)17(18(22)23-2)14-8-4-3-5-9-14/h3-5,8-10,17H,6-7,11-13H2,1-2H3/t17-,19?/m0/s1
InChIKey JNVSZPQBXXNISL-KKFHFHRHSA-N
Molecular Weight 313.397 g/mol
SMILES C=12N(C(CCC2(C)CCCC1)=O)[C@](C(=O)OC)(c1ccccc1)[H]
SPLASH splash10-03gm-2495000000-e380f1ca50cf44a38273
Source of Spectrum KD-13-567-2
Wiley ID 1635083