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3,4-Methylenedioxyphenylpyruvic acid

View entire compound with spectra: 1 NMR, and 1 FTIR

3,4-Methylenedioxyphenylpyruvic acid
SpectraBase Compound ID I16GDmQnmGx
InChI InChI=1S/C10H8O5/c11-7(10(12)13)3-6-1-2-8-9(4-6)15-5-14-8/h1-2,4H,3,5H2,(H,12,13)
InChIKey AKMUYFNCIDWIQH-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 LIRpUgyS1Cz
Name 3,4-Methylenedioxyphenylpyruvic 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/c11-7(10(12)13)3-6-1-2-8-9(4-6)15-5-14-8/h1-2,4H,3,5H2,(H,12,13)
InChIKey AKMUYFNCIDWIQH-UHFFFAOYSA-N
Molecular Weight 208.169 g/mol
SMILES C(=O)(O)C(=O)CC1=CC=C2OCOC2=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.974602