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m-(3-Ethyl-2-thioureido)benzoic acid

View entire compound with spectra: 1 FTIR

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

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 828e7YFaYz
Name m-(3-Ethyl-2-thioureido)benzoic acid
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/c1-2-11-10(15)12-8-5-3-4-7(6-8)9(13)14/h3-6H,2H2,1H3,(H,13,14)(H2,11,12,15)
InChIKey ICTBXPTUJREELF-UHFFFAOYSA-N
Molecular Weight 224.278 g/mol
SMILES C1=CC=C(C=C1NC(=S)NCC)C(O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853947