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1-((5aS,9aR)-10-acetyl-6,7,8,9,9a,10-hexahydro-5aH-pyrido[3,4-b]quinoxalin-5-yl)-ethanone
SpectraBase Compound ID 7H5ne4tILtl
InChI InChI=1S/C15H19N3O2/c1-10(19)17-12-5-3-4-6-13(12)18(11(2)20)15-9-16-8-7-14(15)17/h7-9,12-13H,3-6H2,1-2H3/t12-,13+/m0/s1
InChIKey MAHULPFMYOCBRN-QWHCGFSZSA-N
Mol Weight 273.34 g/mol
Molecular Formula C15H19N3O2
Exact Mass 273.147727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1tL99D0LoW
Name 1-((5aS,9aR)-10-acetyl-6,7,8,9,9a,10-hexahydro-5aH-pyrido[3,4-b]quinoxalin-5-yl)-ethanone
Appearance Dark yellow solid
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Formula C15H19N3O2
InChI InChI=1S/C15H19N3O2/c1-10(19)17-12-5-3-4-6-13(12)18(11(2)20)15-9-16-8-7-14(15)17/h7-9,12-13H,3-6H2,1-2H3/t12-,13+/m0/s1
InChIKey MAHULPFMYOCBRN-QWHCGFSZSA-N
Instrument Name Finnigan MAT 95??
Ionization Type EI
Molecular Weight 273.336 g/mol
Reported Formula C15H19N3O2
SMILES C(C)(N1c2c(N([C@@]3(CCCC[C@]13[H])[H])C(=O)C)cncc2)=O
SPLASH splash10-001r-0980000000-007ee18dde9c93b57430
Source of Spectrum EP2094710B1
Thin-Layer Chromatography Rf = 0.45 (EtOAc/MeOH, 10:1)
Wiley ID 1841767