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3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid

View entire compound with spectra: 1 FTIR

3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid
SpectraBase Compound ID Ed7R1OmFbJ7
InChI InChI=1S/C10H8O4S/c11-10(12)9(15)4-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
InChIKey BNXBSRIVZJUTID-UHFFFAOYSA-N
Mol Weight 224.23 g/mol
Molecular Formula C10H8O4S
Exact Mass 224.01433 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GwdJ8Aq2iOG
Name 3-[3,4-Methylenedioxyphenyl]-2-thiopyruvic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.014329908 u
Formula C10H8O4S
InChI InChI=1S/C10H8O4S/c11-10(12)9(15)4-6-1-2-7-8(3-6)14-5-13-7/h1-3H,4-5H2,(H,11,12)
InChIKey BNXBSRIVZJUTID-UHFFFAOYSA-N
Molecular Weight 224.230 g/mol
SMILES C(=S)(C(O)=O)CC1=CC=C2OCOC2=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.832116