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2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid, 1,6,7,8,9,10-hexahydro-6-thioxo-, methyl ester, (7R*,9R*)-(.+-.)-
SpectraBase Compound ID 6jVW4ltGb4F
InChI InChI=1S/C19H20N2O2S/c1-23-19(22)16-11-12-10-13(24)6-8-21(12)9-7-15-14-4-2-3-5-17(14)20-18(15)16/h2-6,8,12,16,20H,7,9-11H2,1H3/t12-,16?/m0/s1
InChIKey ULRXOMHGMLSZJR-HKALDPMFSA-N
Mol Weight 340.44 g/mol
Molecular Formula C19H20N2O2S
Exact Mass 340.124549 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GCrawnAp7Ao
Name 2H-3,7-Methanoazacycloundecino[5,4-b]indole-9-carboxylic acid, 1,6,7,8,9,10-hexahydro-6-thioxo-, methyl ester, (7R*,9R*)-(.+-.)-
CAS Registry Number 103027-32-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O2S
InChI InChI=1S/C19H20N2O2S/c1-23-19(22)16-11-12-10-13(24)6-8-21(12)9-7-15-14-4-2-3-5-17(14)20-18(15)16/h2-6,8,12,16,20H,7,9-11H2,1H3/t12-,16?/m0/s1
InChIKey ULRXOMHGMLSZJR-HKALDPMFSA-N
Molecular Weight 340.441 g/mol
SMILES [nH]1c2ccccc2c2CCN3C=CC(C[C@]3(CC(c12)C(=O)OC)[H])=S
SPLASH splash10-01pc-3903000000-5489bd482babf1c6b918
Source of Spectrum J-51-2926-45
Synonyms Desethyl-15-thiono-20,21-didehydro-16.alpha.-carbomethoxy-cleavamine Methyl (7aR)-9-thioxo-5,6,7,7a,8,9,13,14-octahydropyrido[2',1':8,1]azocino[5,4-b]indole-6-carboxylate
Wiley ID 1335157