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4-(3,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-keto-butyric acid

View entire compound with spectra: 1 MS (GC)

4-(3,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-keto-butyric acid
SpectraBase Compound ID IEwcp1FZ5D6
InChI InChI=1S/C20H19NO3/c1-12-7-8-14(9-13(12)2)19(22)10-16(20(23)24)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)
InChIKey XICGIXLZXLIASF-UHFFFAOYSA-N
Mol Weight 321.38 g/mol
Molecular Formula C20H19NO3
Exact Mass 321.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kgy4KgFVhc
Name 4-(3,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-keto-butyric acid
Alternate Name(s) 4-(3,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxidanylidene-butanoic acid 4-(3,4-dimethylphenyl)-2-(1H-indol-3-yl)-4-oxo-butanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19NO3
InChI InChI=1S/C20H19NO3/c1-12-7-8-14(9-13(12)2)19(22)10-16(20(23)24)17-11-21-18-6-4-3-5-15(17)18/h3-9,11,16,21H,10H2,1-2H3,(H,23,24)
InChIKey XICGIXLZXLIASF-UHFFFAOYSA-N
Molecular Weight 321.376 g/mol
SMILES [nH]1c2ccccc2c(C(C(=O)O)CC(c2cc(c(cc2)C)C)=O)c1
SPLASH splash10-001i-0900000000-a287808174aff246d1bd
Source of Spectrum F7-15-204-2
Wiley ID 1556811