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2-(1H-indole-3-carbonyl)benzoic acid methyl ester
SpectraBase Compound ID ExB0JHiSeMd
InChI InChI=1S/C17H13NO3/c1-21-17(20)13-8-3-2-7-12(13)16(19)14-10-18-15-9-5-4-6-11(14)15/h2-10,18H,1H3
InChIKey QSXRMLHMXMMMLK-UHFFFAOYSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsK1gJttFfn
Name 2-(1H-indole-3-carbonyl)benzoic acid methyl ester
Comments Removed - expert review: contamination (acetone))
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Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-21-17(20)13-8-3-2-7-12(13)16(19)14-10-18-15-9-5-4-6-11(14)15/h2-10,18H,1H3
InChIKey QSXRMLHMXMMMLK-UHFFFAOYSA-N
Molecular Weight 279.295 g/mol
SMILES [nH]1c2c(c(c1)C(c1c(C(=O)OC)cccc1)=O)cccc2
SPLASH splash10-0a4i-9000000000-55177486e08c8f459f99
Source of Spectrum HE-2004-269-7
Synonyms 2-[1H-indol-3-yl(oxo)methyl]benzoic acid methyl ester methyl 2-(1H-indol-3-ylcarbonyl)benzoate methyl 2-(1H-indole-3-carbonyl)benzoate
Wiley ID 1581614