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2-Ethyl-6-methylcarbanilic acid, allyl ester

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

2-Ethyl-6-methylcarbanilic acid, allyl ester
SpectraBase Compound ID JktkTWI8Zyo
InChI InChI=1S/C13H17NO2/c1-4-9-16-13(15)14-12-10(3)7-6-8-11(12)5-2/h4,6-8H,1,5,9H2,2-3H3,(H,14,15)
InChIKey LSOJGSLLAJXBNC-UHFFFAOYSA-N
Mol Weight 219.28 g/mol
Molecular Formula C13H17NO2
Exact Mass 219.125929 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CqtEI1nVyZ3
Name 2-Ethyl-6-methylcarbanilic acid, allyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 219.125928789 u
Formula C13H17NO2
InChI InChI=1S/C13H17NO2/c1-4-9-16-13(15)14-12-10(3)7-6-8-11(12)5-2/h4,6-8H,1,5,9H2,2-3H3,(H,14,15)
InChIKey LSOJGSLLAJXBNC-UHFFFAOYSA-N
Molecular Weight 219.284 g/mol
SMILES N(C1=C(C=CC=C1CC)C)C(OCC=C)=O
Spectrum/Structure Validation Score (Raman) 0.929947