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4-(1H-indol-3-yl)-4-keto-butyric acid methyl ester

View entire compound with spectra: 1 MS (GC)

4-(1H-indol-3-yl)-4-keto-butyric acid methyl ester
SpectraBase Compound ID GNX4m3oQXp7
InChI InChI=1S/C13H13NO3/c1-17-13(16)7-6-12(15)10-8-14-11-5-3-2-4-9(10)11/h2-5,8,14H,6-7H2,1H3
InChIKey DWAIOVAHORFQQZ-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KVEr2J54eKR
Name 4-(1H-indol-3-yl)-4-keto-butyric acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c1-17-13(16)7-6-12(15)10-8-14-11-5-3-2-4-9(10)11/h2-5,8,14H,6-7H2,1H3
InChIKey DWAIOVAHORFQQZ-UHFFFAOYSA-N
Molecular Weight 231.251 g/mol
SMILES [nH]1c2c(c(c1)C(=O)CCC(=O)OC)cccc2
SPLASH splash10-0006-0910000000-c5cc0cff463c35494ea1
Source of Spectrum HC-12-171-0
Synonyms 4-(1H-indol-3-yl)-4-oxobutanoic acid methyl ester Methyl 4-(1H-indol-3-yl)-4-oxidanylidene-butanoate Methyl 4-(1H-indol-3-yl)-4-oxo-butanoate
Wiley ID 1232764