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3,5-Dimethylcarbanilic acid, propyl ester

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

3,5-Dimethylcarbanilic acid, propyl ester
SpectraBase Compound ID AdfoRTTbAWe
InChI InChI=1S/C12H17NO2/c1-4-5-15-12(14)13-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey AEDXANDJSDDVQK-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 CB4iNjvNKIK
Name 3,5-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/c1-4-5-15-12(14)13-11-7-9(2)6-10(3)8-11/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey AEDXANDJSDDVQK-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES N(C1=CC(=CC(=C1)C)C)C(OCCC)=O
Spectrum/Structure Validation Score (Raman) 0.964656