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m-(3-Methyl-2-thioureido)benzoic acid, methyl ester

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

m-(3-Methyl-2-thioureido)benzoic acid, methyl ester
SpectraBase Compound ID BHiUP3c1vsc
InChI InChI=1S/C10H12N2O2S/c1-11-10(15)12-8-5-3-4-7(6-8)9(13)14-2/h3-6H,1-2H3,(H2,11,12,15)
InChIKey HFTKNODXKCMXOH-UHFFFAOYSA-N
Mol Weight 224.28 g/mol
Molecular Formula C10H12N2O2S
Exact Mass 224.061949 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3uoYxYJS5yP
Name m-(3-Methyl-2-thioureido)benzoic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.061948806 u
Formula C10H12N2O2S
InChI InChI=1S/C10H12N2O2S/c1-11-10(15)12-8-5-3-4-7(6-8)9(13)14-2/h3-6H,1-2H3,(H2,11,12,15)
InChIKey HFTKNODXKCMXOH-UHFFFAOYSA-N
Molecular Weight 224.278 g/mol
SMILES N(C1=CC(=CC=C1)C(OC)=O)C(NC)=S
Spectrum/Structure Validation Score (Raman) 0.901227