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Benz[cd]indole-1(2H)-propanoic acid, 2-oxo-
SpectraBase Compound ID 1iJak6L1dXs
InChI InChI=1S/C14H11NO3/c16-12(17)7-8-15-11-6-2-4-9-3-1-5-10(13(9)11)14(15)18/h1-6H,7-8H2,(H,16,17)
InChIKey JHVSKAZALOIIBZ-UHFFFAOYSA-N
Mol Weight 241.25 g/mol
Molecular Formula C14H11NO3
Exact Mass 241.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9stkrsVEk0X
Name Benz[cd]indole-1(2H)-propanoic acid, 2-oxo-
Comments Removed - expert review: contamination (air); A corrected record has been addded having SpectrumID: 1820838
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Formula C14H11NO3
InChI InChI=1S/C14H11NO3/c16-12(17)7-8-15-11-6-2-4-9-3-1-5-10(13(9)11)14(15)18/h1-6H,7-8H2,(H,16,17)
InChIKey JHVSKAZALOIIBZ-UHFFFAOYSA-N
Molecular Weight 241.246 g/mol
SMILES OC(CCN1c2c3c(cccc3ccc2)C1=O)=O
SPLASH splash10-0159-9510000000-5587db260bdb1a4d586b
Synonyms 3-(2-Oxobenzo[cd]indol-1(2H)-yl)propanoic acid 3-(2-oxo-1-benzo[cd]indolyl)propanoic acid 3-(2-oxobenzo[cd]indol-1-yl)propanoic acid 3-(2-oxidanylidenebenzo[cd]indol-1-yl)propanoic acid
Wiley ID 1472151