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3-(2-Hydroxy-4-methoxybenzoyl)acrylic acid

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

3-(2-Hydroxy-4-methoxybenzoyl)acrylic acid
SpectraBase Compound ID CDVkBpj04r1
InChI InChI=1S/C11H10O5/c1-16-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-6,13H,1H3,(H,14,15)/b5-4+
InChIKey JAGWGYMZWHJUST-SNAWJCMRSA-N
Mol Weight 222.2 g/mol
Molecular Formula C11H10O5
Exact Mass 222.052823 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GwVlPntoAJo
Name 3-(2-Hydroxy-4-methoxybenzoyl)acrylic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.052823417 u
Formula C11H10O5
InChI InChI=1S/C11H10O5/c1-16-7-2-3-8(10(13)6-7)9(12)4-5-11(14)15/h2-6,13H,1H3,(H,14,15)/b5-4+
InChIKey JAGWGYMZWHJUST-SNAWJCMRSA-N
Molecular Weight 222.196 g/mol
SMILES C=1(C(=CC(=CC1)OC)O)C(\C=C\C(=O)O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.859045