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2-(4-Carbomethoxyphenyl)-2-keto-acetic acid

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

2-(4-Carbomethoxyphenyl)-2-keto-acetic acid
SpectraBase Compound ID AdEVazVN53f
InChI InChI=1S/C10H8O5/c1-15-10(14)7-4-2-6(3-5-7)8(11)9(12)13/h2-5H,1H3,(H,12,13)
InChIKey QWCDHPUMLPCZIO-UHFFFAOYSA-N
Mol Weight 208.17 g/mol
Molecular Formula C10H8O5
Exact Mass 208.037173 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2kNPWHxafk6
Name 2-(4-Carbomethoxyphenyl)-2-keto-acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.037173353 u
Formula C10H8O5
InChI InChI=1S/C10H8O5/c1-15-10(14)7-4-2-6(3-5-7)8(11)9(12)13/h2-5H,1H3,(H,12,13)
InChIKey QWCDHPUMLPCZIO-UHFFFAOYSA-N
Molecular Weight 208.169 g/mol
SMILES C(C(=O)O)(C=1C=CC(C(=O)OC)=CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.95392