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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

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZ9yfTCvoTa
Name trans-3-(4-Methylbenzoyl)acrylic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 346012
CAS Registry Number 20972-36-5
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 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
Observed nucleus 13C
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms 3-(4-methylbenzoyl)acrylic acid (2E)-4-(4-methylphenyl)-4-oxobut-2-enoic acid
Wiley ID SIAL_13CNMR_007208