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5H-11a-Azadibenzo[a,f]azulene-1-carboxylic acid, 6,6-dimethyl-12-oxo-4b,6,11,12-tetrahydro-, methyl ester
SpectraBase Compound ID Kovodrl2hhB
InChI InChI=1S/C21H21NO3/c1-21(2)11-17-14-8-6-9-15(20(24)25-3)18(14)19(23)22(17)12-13-7-4-5-10-16(13)21/h4-10,17H,11-12H2,1-3H3
InChIKey OKHHTZVKSBGUFB-UHFFFAOYSA-N
Mol Weight 335.4 g/mol
Molecular Formula C21H21NO3
Exact Mass 335.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ip2kRa7lVR6
Name 5H-11a-Azadibenzo[a,f]azulene-1-carboxylic acid, 6,6-dimethyl-12-oxo-4b,6,11,12-tetrahydro-, methyl ester
Alternate Name(s) 13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid methyl ester 7-keto-13,13-dimethyl-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid methyl ester Methyl 13,13-dimethyl-7-oxidanylidene-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate Methyl 13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylate
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Formula C21H21NO3
InChI InChI=1S/C21H21NO3/c1-21(2)11-17-14-8-6-9-15(20(24)25-3)18(14)19(23)22(17)12-13-7-4-5-10-16(13)21/h4-10,17H,11-12H2,1-3H3
InChIKey OKHHTZVKSBGUFB-UHFFFAOYSA-N
Molecular Weight 335.403 g/mol
SMILES COC(=O)c1c2c(ccc1)C1N(Cc3c(cccc3)C(C1)(C)C)C2=O
SPLASH splash10-004i-3982000000-b9f3b8253b2408a96838
Wiley ID 1440473