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Methyl 1,2,3,4,5,6-hexahydro-4-oxoazepino[4,5-b]indole-2-carboxylate
SpectraBase Compound ID GN9O7lRmbCL
InChI InChI=1S/C14H14N2O3/c1-19-14(18)12-6-9-8-4-2-3-5-10(8)15-11(9)7-13(17)16-12/h2-5,12,15H,6-7H2,1H3,(H,16,17)/t12-/m0/s1
InChIKey XTGQFGSVUGRWKE-LBPRGKRZSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H14N2O3
Exact Mass 258.100442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ci5kRpOz2pA
Name Methyl 1,2,3,4,5,6-hexahydro-4-oxoazepino[4,5-b]indole-2-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O3
InChI InChI=1S/C14H14N2O3/c1-19-14(18)12-6-9-8-4-2-3-5-10(8)15-11(9)7-13(17)16-12/h2-5,12,15H,6-7H2,1H3,(H,16,17)/t12-/m0/s1
InChIKey XTGQFGSVUGRWKE-LBPRGKRZSA-N
Molecular Weight 258.277 g/mol
SMILES [nH]1c2ccccc2c2c1CC(N[C@@](C2)(C(=O)OC)[H])=O
SPLASH splash10-05fu-0920000000-f2f7e428c22f4e2cf282
Source of Spectrum KC-1992-803-15
Synonyms (S)-Methyl 1,2,3,4,5,6-hexahydro-4-oxoazepino[4,5-b]indole-2-carboxylate Methyl 4-oxo-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole-2-carboxylate
Wiley ID 776292