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13,13-dimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
SpectraBase Compound ID EX2f6llV7df
InChI InChI=1S/C20H19NO3/c1-20(2)10-16-13-7-5-8-14(19(23)24)17(13)18(22)21(16)11-12-6-3-4-9-15(12)20/h3-9,16H,10-11H2,1-2H3,(H,23,24)
InChIKey IWHFLGWVCGKJJO-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhhC6O7sTXC
Name 13,13-Dimethyl-7-oxo-7,11b,12,13-tetrahydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
Alternate Name(s) 13,13-dimethyl-7-oxidanylidene-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid 13,13-dimethyl-7-oxo-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid 5H-11a-Azadibenzo[a,f]azulene-1-carboxylic acid, 6,6-dimethyl-12-oxo-4b,6,11,12-tetrahydro- 7-keto-13,13-dimethyl-11b,12-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
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Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-20(2)10-16-13-7-5-8-14(19(23)24)17(13)18(22)21(16)11-12-6-3-4-9-15(12)20/h3-9,16H,10-11H2,1-2H3,(H,23,24)
InChIKey IWHFLGWVCGKJJO-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES OC(=O)c1c2c(ccc1)C1N(Cc3c(cccc3)C(C1)(C)C)C2=O
SPLASH splash10-004i-4891000000-6f4eeb7f529eb7a88b5d
Wiley ID 1438888