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2-Ethyl-6-methylcarbanilic acid, ethyl ester

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

2-Ethyl-6-methylcarbanilic acid, ethyl ester
SpectraBase Compound ID IuWDMM9svlt
InChI InChI=1S/C12H17NO2/c1-4-10-8-6-7-9(3)11(10)13-12(14)15-5-2/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey XENOXTFNJADCMZ-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 1iMArW8pP7n
Name 2-Ethyl-6-methylcarbanilic acid, ethyl 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/c1-4-10-8-6-7-9(3)11(10)13-12(14)15-5-2/h6-8H,4-5H2,1-3H3,(H,13,14)
InChIKey XENOXTFNJADCMZ-UHFFFAOYSA-N
Molecular Weight 207.273 g/mol
SMILES N(C1=C(C=CC=C1CC)C)C(OCC)=O
Spectrum/Structure Validation Score (Raman) 0.983503