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6-Oxo-1,3,4,5,6,7-hexahydroazocino[4,5,6-cd]indole-4-carboxylic acid
SpectraBase Compound ID 2teKB1VNNm5
InChI InChI=1S/C13H12N2O3/c16-11-5-7-2-1-3-9-12(7)8(6-14-9)4-10(15-11)13(17)18/h1-3,6,10,14H,4-5H2,(H,15,16)(H,17,18)
InChIKey PLOALGZDNUYFCI-UHFFFAOYSA-N
Mol Weight 244.25 g/mol
Molecular Formula C13H12N2O3
Exact Mass 244.084792 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2CfqBGodgjp
Name 6-Oxo-1,3,4,5,6,7-hexahydroazocino[4,5,6-cd]indole-4-carboxylic acid
CAS Registry Number 7587-21-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12N2O3
InChI InChI=1S/C13H12N2O3/c16-11-5-7-2-1-3-9-12(7)8(6-14-9)4-10(15-11)13(17)18/h1-3,6,10,14H,4-5H2,(H,15,16)(H,17,18)
InChIKey PLOALGZDNUYFCI-UHFFFAOYSA-N
Molecular Weight 244.250 g/mol
SMILES N1C(Cc2cccc3c2c(CC1C(=O)O)c[nH]3)=O
SPLASH splash10-0006-2920000000-a323385f0e32e0b7a2df
Synonyms Pyrrolo[4,3,2-fg][3]benzazocine-4-carboxylic acid, 1,3,4,5,6,7-hexahydro-6-oxo-
Wiley ID 1496085