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3-(3-Phenyl-2-thioureido)propionic acid

View entire compound with spectra: 2 NMR, 1 FTIR, 1 Raman, and 1 UV-Vis

3-(3-Phenyl-2-thioureido)propionic acid
SpectraBase Compound ID FtuSWzcY5gL
InChI InChI=1S/C10H12N2O2S/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15)
InChIKey NMBWTDIFSHKDJO-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 CHVbPCGuysg
Name 3-(3-Phenyl-2-thioureido)propionic 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/c13-9(14)6-7-11-10(15)12-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)(H2,11,12,15)
InChIKey NMBWTDIFSHKDJO-UHFFFAOYSA-N
Molecular Weight 224.278 g/mol
SMILES N(C1=CC=CC=C1)C(NCCC(O)=O)=S
Spectrum/Structure Validation Score (Raman) 0.738773