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3-[3-(p-Methoxyphenyl)-2-thioureido]propionic acid

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

3-[3-(p-Methoxyphenyl)-2-thioureido]propionic acid
SpectraBase Compound ID lgholWyFld
InChI InChI=1S/C11H14N2O3S/c1-16-9-4-2-8(3-5-9)13-11(17)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,17)
InChIKey AKTHINTURVGEBE-UHFFFAOYSA-N
Mol Weight 254.3 g/mol
Molecular Formula C11H14N2O3S
Exact Mass 254.072513 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID v5eGB7JMca
Name 3-[3-(p-Methoxyphenyl)-2-thioureido]propionic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 254.072513490 u
Formula C11H14N2O3S
InChI InChI=1S/C11H14N2O3S/c1-16-9-4-2-8(3-5-9)13-11(17)12-7-6-10(14)15/h2-5H,6-7H2,1H3,(H,14,15)(H2,12,13,17)
InChIKey AKTHINTURVGEBE-UHFFFAOYSA-N
Molecular Weight 254.304 g/mol
SMILES N(C1=CC=C(C=C1)OC)C(NCCC(O)=O)=S
Spectrum/Structure Validation Score (Raman) 0.793767