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2-Hydroxy-3-(3-hydroxyphenyl)prop-2-enoic acid

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

2-Hydroxy-3-(3-hydroxyphenyl)prop-2-enoic acid
SpectraBase Compound ID BgnpSRvEgVA
InChI InChI=1S/C9H8O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-
InChIKey BKXTVGXWGYNFNV-YVMONPNESA-N
Mol Weight 180.16 g/mol
Molecular Formula C9H8O4
Exact Mass 180.042259 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LQ2kv2de7KY
Name 2-Hydroxy-3-(3-hydroxyphenyl)prop-2-enoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 180.042258734 u
Formula C9H8O4
InChI InChI=1S/C9H8O4/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-5,10-11H,(H,12,13)/b8-5-
InChIKey BKXTVGXWGYNFNV-YVMONPNESA-N
Molecular Weight 180.159 g/mol
SMILES C(\C(=C\C=1C=C(C=CC1)O)O)(=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.842341