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3,4-Dihydro-4-methyl-3-thioxo-2-quinoxalineacetic acid, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, 1 Raman, 1 UV-Vis, and 1 MS (GC)

3,4-Dihydro-4-methyl-3-thioxo-2-quinoxalineacetic acid, ethyl ester
SpectraBase Compound ID JcVswOBelhD
InChI InChI=1S/C13H14N2O2S/c1-3-17-12(16)8-10-13(18)15(2)11-7-5-4-6-9(11)14-10/h4-7H,3,8H2,1-2H3
InChIKey WUHILIZBCMXTBT-UHFFFAOYSA-N
Mol Weight 262.33 g/mol
Molecular Formula C13H14N2O2S
Exact Mass 262.077599 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5dCPJVBfzhu
Name 3,4-Dihydro-4-methyl-3-thioxo-2-quinoxalineacetic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 262.077598871 u
Formula C13H14N2O2S
InChI InChI=1S/C13H14N2O2S/c1-3-17-12(16)8-10-13(18)15(2)11-7-5-4-6-9(11)14-10/h4-7H,3,8H2,1-2H3
InChIKey WUHILIZBCMXTBT-UHFFFAOYSA-N
SMILES C=12C=CC=CC1N=C(C(N2C)=S)CC(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.720666