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Indeno[2,1-b]indole-7-carboxylic acid, 5,6,6a,7,8,10a-hexahydro-5,9-dimethyl-6-oxo-, methyl ester, (6a.alpha.,7.beta.,10a.alpha.)-(.+-.)-
SpectraBase Compound ID 62cx3Car6jk
InChI InChI=1S/C19H19NO3/c1-9-6-12(19(22)23-3)16-13(7-9)20-14-8-11-5-4-10(2)18(21)15(11)17(14)16/h4-5,7-8,10,12-13,15H,6H2,1-3H3/t10?,12-,13+,15+/m0/s1
InChIKey HNQXAPUKJDDPOL-KJUYJSRGSA-N
Mol Weight 309.37 g/mol
Molecular Formula C19H19NO3
Exact Mass 309.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5ixRKDFCYeq
Name Indeno[2,1-b]indole-7-carboxylic acid, 5,6,6a,7,8,10a-hexahydro-5,9-dimethyl-6-oxo-, methyl ester, (6a.alpha.,7.beta.,10a.alpha.)-(.+-.)-
CAS Registry Number 131939-06-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19NO3
InChI InChI=1S/C19H19NO3/c1-9-6-12(19(22)23-3)16-13(7-9)20-14-8-11-5-4-10(2)18(21)15(11)17(14)16/h4-5,7-8,10,12-13,15H,6H2,1-3H3/t10?,12-,13+,15+/m0/s1
InChIKey HNQXAPUKJDDPOL-KJUYJSRGSA-N
Molecular Weight 309.365 g/mol
SMILES C12=C3[C@](C=C(C[C@@]3(C(=O)OC)[H])C)([H])N=C1C=C1[C@]2(C(C(C=C1)C)=O)[H]
SPLASH splash10-0pi1-0093000000-131d574800c75d435651
Source of Spectrum KC-1990-2495-38
Synonyms Methyl (1S,4aR,10aR)-3,9-dimethyl-10-oxo-1,2,4a,9,10,10a-hexahydroindeno[2,1-b]indole-1-carboxylate Methyl 5,9-dimethyl-6-oxo-5,6,6a.beta.,7.beta.,8,10a.beta.-hexahydro-indeno[2,1-b]indole-7-carboxylate
Wiley ID 1310778