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2-Methoxy-5-methylcarbanilic acid, propyl ester

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

2-Methoxy-5-methylcarbanilic acid, propyl ester
SpectraBase Compound ID B3dVY9cYJC5
InChI InChI=1S/C12H17NO3/c1-4-7-16-12(14)13-10-8-9(2)5-6-11(10)15-3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKey MIIZTBFHTIFTLP-UHFFFAOYSA-N
Mol Weight 223.27 g/mol
Molecular Formula C12H17NO3
Exact Mass 223.120843 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4P6H2M89w2t
Name 2-Methoxy-5-methylcarbanilic acid, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 223.120843408 u
Formula C12H17NO3
InChI InChI=1S/C12H17NO3/c1-4-7-16-12(14)13-10-8-9(2)5-6-11(10)15-3/h5-6,8H,4,7H2,1-3H3,(H,13,14)
InChIKey MIIZTBFHTIFTLP-UHFFFAOYSA-N
Molecular Weight 223.272 g/mol
SMILES N(C1=CC(=CC=C1OC)C)C(OCCC)=O
Spectrum/Structure Validation Score (Raman) 0.934105