3-(4-Methylbenzoyl)acrylic acid

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Systematic / IUPAC Name: (2E)-4-(4-Methylphenyl)-4-oxo-2-butenoic acid

ID: Reference4624

Other Names: (E)-4-(4-Methylphenyl)-4-oxo-2-butenoic acid;
(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid;
2-Butenoic acid,4-(4-methylphenyl)-4-oxo-, (2E)-

Formula: C11H10O3

Spectral Data

3-(4-Methylbenzoyl)acrylic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/25/2016 10:55:56 AM
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Identificators

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+
InChI Key VNJMEFZKYZHWEO-VOTSOKGWSA-N
Canonical SMILES CC1=CC=C(C=C1)C(=O)C=CC(=O)O
CAS
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Other Names (E)-4-(4-Methylphenyl)-4-oxo-2-butenoic acid;
(2E)-4-(4-Methylphenyl)-4-oxobut-2-enoic acid;
2-Butenoic acid,4-(4-methylphenyl)-4-oxo-, (2E)-

In Other Databases

ChEMBL CHEMBL44664
ChemSpider 602123
PubChem 691106