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Methyl 1,2,3,4,5,6-hexahydro-5-isopropyl-4-oxoazepino[4,5-b]indole-2-carboxylate
SpectraBase Compound ID E7K44PcqL1k
InChI InChI=1S/C17H20N2O3/c1-9(2)14-15-11(10-6-4-5-7-12(10)18-15)8-13(17(21)22-3)19-16(14)20/h4-7,9,13-14,18H,8H2,1-3H3,(H,19,20)/t13-,14?/m0/s1
InChIKey OHTYBJVZJQEYCB-LSLKUGRBSA-N
Mol Weight 300.36 g/mol
Molecular Formula C17H20N2O3
Exact Mass 300.147393 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DsgVt74huyX
Name Methyl 1,2,3,4,5,6-hexahydro-5-isopropyl-4-oxoazepino[4,5-b]indole-2-carboxylate
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Formula C17H20N2O3
InChI InChI=1S/C17H20N2O3/c1-9(2)14-15-11(10-6-4-5-7-12(10)18-15)8-13(17(21)22-3)19-16(14)20/h4-7,9,13-14,18H,8H2,1-3H3,(H,19,20)/t13-,14?/m0/s1
InChIKey OHTYBJVZJQEYCB-LSLKUGRBSA-N
Molecular Weight 300.358 g/mol
SMILES [nH]1c2ccccc2c2c1C(C(N[C@@](C2)(C(=O)OC)[H])=O)C(C)C
SPLASH splash10-0w90-0986000000-435d7484d63ad63a4fb8
Source of Spectrum KC-1992-826-11
Synonyms (S)-Methyl 1,2,3,4,5,6-hexahydro-5-isopropyl-4-oxoazepino[4,5-b]indole-2-carboxylate Methyl 5-isopropyl-4-oxo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-2-carboxylate
Wiley ID 776216