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2,3-Dimethylcarbanilic acid, propyl ester

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

2,3-Dimethylcarbanilic acid, propyl ester
SpectraBase Compound ID CQC97Ohxuzw
InChI InChI=1S/C12H17NO2/c1-4-8-15-12(14)13-11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKey FPSNSUQONVPXKR-UHFFFAOYSA-N
Mol Weight 207.27 g/mol
Molecular Formula C12H17NO2
Exact Mass 207.125929 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID EHKyUqWYEKP
Name 2,3-Dimethylcarbanilic acid, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 207.125928789 u
Formula C12H17NO2
InChI InChI=1S/C12H17NO2/c1-4-8-15-12(14)13-11-7-5-6-9(2)10(11)3/h5-7H,4,8H2,1-3H3,(H,13,14)
InChIKey FPSNSUQONVPXKR-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES N(C1=CC=CC(=C1C)C)C(OCCC)=O
Spectrum/Structure Validation Score (Raman) 0.970048