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(E)-4-(1H-indol-3-yl)-4-keto-but-2-enoic acid methyl ester
SpectraBase Compound ID GH6pn0XWozo
InChI InChI=1S/C13H11NO3/c1-17-13(16)7-6-12(15)10-8-14-11-5-3-2-4-9(10)11/h2-8,14H,1H3/b7-6+
InChIKey NAWMRCICTINDNM-VOTSOKGWSA-N
Mol Weight 229.23 g/mol
Molecular Formula C13H11NO3
Exact Mass 229.073893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IuX3luesu7
Name (E)-4-(1H-indol-3-yl)-4-keto-but-2-enoic acid methyl ester
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Formula C13H11NO3
InChI InChI=1S/C13H11NO3/c1-17-13(16)7-6-12(15)10-8-14-11-5-3-2-4-9(10)11/h2-8,14H,1H3/b7-6+
InChIKey NAWMRCICTINDNM-VOTSOKGWSA-N
Molecular Weight 229.235 g/mol
SMILES [nH]1c2c(c(c1)C(\C=C\C(=O)OC)=O)cccc2
SPLASH splash10-0006-0900000000-97afd724f1e74bbcd8c3
Source of Spectrum HC-12-171-0
Synonyms (E)-4-(1H-indol-3-yl)-4-oxo-2-butenoic acid methyl ester Methyl (E)-4-(1H-indol-3-yl)-4-oxidanylidene-but-2-enoate Methyl (E)-4-(1H-indol-3-yl)-4-oxo-but-2-enoate
Wiley ID 1230756