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3-(4-Methylbenzoyl)acrylic acid

View entire compound with spectra: 3 NMR, 3 FTIR, and 1 MS (GC)

3-(4-Methylbenzoyl)acrylic acid
SpectraBase Compound ID Ccld2WPMA2n
InChI InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChIKey VNJMEFZKYZHWEO-VOTSOKGWSA-N
Mol Weight 190.2 g/mol
Molecular Formula C11H10O3
Exact Mass 190.062994 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EAtaZcfDByO
Name 4-(4-Methylphenyl)-4-oxo-2-butenoic acid
Alternate Name(s) (E)-4-(4-methylphenyl)-4-oxidanylidene-but-2-enoic acid (E)-4-(4-methylphenyl)-4-oxo-2-butenoic acid (E)-4-(4-methylphenyl)-4-oxobut-2-enoic acid (E)-4-keto-4-(p-tolyl)but-2-enoic acid (E)-4-oxo-4-(p-tolyl)but-2-enoic acid
CAS Registry Number 20972-36-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H10O3
InChI InChI=1S/C11H10O3/c1-8-2-4-9(5-3-8)10(12)6-7-11(13)14/h2-7H,1H3,(H,13,14)/b7-6+
InChIKey VNJMEFZKYZHWEO-VOTSOKGWSA-N
Molecular Weight 190.198 g/mol
SMILES OC(\C=C\C(c1ccc(cc1)C)=O)=O
SPLASH splash10-0006-9200000000-49052740c46390185090
Wiley ID 1450303