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o-(3-Ethylureido)benzoic acid

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

o-(3-Ethylureido)benzoic acid
SpectraBase Compound ID KaXwt2tiJ6I
InChI InChI=1S/C10H12N2O3/c1-2-11-10(15)12-8-6-4-3-5-7(8)9(13)14/h3-6H,2H2,1H3,(H,13,14)(H2,11,12,15)
InChIKey YIJJNVWLRRNTFR-UHFFFAOYSA-N
Mol Weight 208.22 g/mol
Molecular Formula C10H12N2O3
Exact Mass 208.084792 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6lQqedA7DRL
Name o-(3-Ethylureido)benzoic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 208.084792251 u
Formula C10H12N2O3
InChI InChI=1S/C10H12N2O3/c1-2-11-10(15)12-8-6-4-3-5-7(8)9(13)14/h3-6H,2H2,1H3,(H,13,14)(H2,11,12,15)
InChIKey YIJJNVWLRRNTFR-UHFFFAOYSA-N
Molecular Weight 208.217 g/mol
SMILES N(C=1C(C(O)=O)=CC=CC1)C(NCC)=O
Spectrum/Structure Validation Score (Raman) 0.957303