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Indeno[2,1-b]indole-7-carboxylic acid, 5,6,6a,7,8,10a-hexahydro-9-methyl-6-oxo-, methyl ester, (6a.alpha.,7.beta.,10a.alpha.)-(.+-.)-
SpectraBase Compound ID IglMLXTH56h
InChI InChI=1S/C18H17NO3/c1-9-7-11-14-10-5-3-4-6-13(10)19-16(14)17(20)15(11)12(8-9)18(21)22-2/h3-7,11-12,15,19H,8H2,1-2H3/t11-,12-,15+/m1/s1
InChIKey KCJXAIFJYUJTOV-JMSVASOKSA-N
Mol Weight 295.34 g/mol
Molecular Formula C18H17NO3
Exact Mass 295.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSFvtepMkfh
Name Indeno[2,1-b]indole-7-carboxylic acid, 5,6,6a,7,8,10a-hexahydro-9-methyl-6-oxo-, methyl ester, (6a.alpha.,7.beta.,10a.alpha.)-(.+-.)-
CAS Registry Number 131938-99-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17NO3
InChI InChI=1S/C18H17NO3/c1-9-7-11-14-10-5-3-4-6-13(10)19-16(14)17(20)15(11)12(8-9)18(21)22-2/h3-7,11-12,15,19H,8H2,1-2H3/t11-,12-,15+/m1/s1
InChIKey KCJXAIFJYUJTOV-JMSVASOKSA-N
Molecular Weight 295.338 g/mol
SMILES [nH]1c2ccccc2c2c1C([C@@]1([C@@](CC(=C[C@]21[H])C)(C(=O)OC)[H])[H])=O
SPLASH splash10-000j-0090000000-adeddcdc9ce7c4864b12
Source of Spectrum KC-1990-2493-29
Synonyms Methyl (6aS,7R,10aS)-9-methyl-6-oxo-5,6,6a,7,8,10a-hexahydroindeno[2,1-b]indole-7-carboxylate Methyl 9-methyl-6-oxo-5,6a.beta.,7.beta.,8,10a.beta.-hexahydroindeno[2,1-b]indole-7-carboxylate
Wiley ID 1298325