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3,13,13-Trimethyl-7-oxo-7,13-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
SpectraBase Compound ID 9ds0IDcEZva
InChI InChI=1S/C21H19NO3/c1-12-7-8-16-13(9-12)11-22-17(10-21(16,2)3)14-5-4-6-15(20(24)25)18(14)19(22)23/h4-10H,11H2,1-3H3,(H,24,25)
InChIKey VYGNJWVGLGGWMP-UHFFFAOYSA-N
Mol Weight 333.39 g/mol
Molecular Formula C21H19NO3
Exact Mass 333.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dxZeCbnSXI
Name 3,13,13-Trimethyl-7-oxo-7,13-dihydro-5H-isoindolo[2,1-b][2]benzazepine-8-carboxylic acid
Alternate Name(s) 6,6,9-Trimethyl-12-oxo-6,12-dihydro-11H-11a-aza-dibenzo[a,f]azulene-1-carboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19NO3
InChI InChI=1S/C21H19NO3/c1-12-7-8-16-13(9-12)11-22-17(10-21(16,2)3)14-5-4-6-15(20(24)25)18(14)19(22)23/h4-10H,11H2,1-3H3,(H,24,25)
InChIKey VYGNJWVGLGGWMP-UHFFFAOYSA-N
Molecular Weight 333.387 g/mol
SMILES OC(=O)c1c2c(ccc1)C1=CC(c3c(cc(cc3)C)CN1C2=O)(C)C
SPLASH splash10-014i-3879000000-7bfb907f86fa368fe902
Wiley ID 1444425