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2,6-Dimethylcarbanilic acid, 2-chloroethyl ester

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

2,6-Dimethylcarbanilic acid, 2-chloroethyl ester
SpectraBase Compound ID 6WpIEjmmDnj
InChI InChI=1S/C11H14ClNO2/c1-8-4-3-5-9(2)10(8)13-11(14)15-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey NBUREZWYEVYFIH-UHFFFAOYSA-N
Mol Weight 227.69 g/mol
Molecular Formula C11H14ClNO2
Exact Mass 227.071306 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID Jq0RwQOo8EX
Name 2,6-Dimethylcarbanilic acid, 2-chloroethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 227.071306393 u
Formula C11H14ClNO2
InChI InChI=1S/C11H14ClNO2/c1-8-4-3-5-9(2)10(8)13-11(14)15-7-6-12/h3-5H,6-7H2,1-2H3,(H,13,14)
InChIKey NBUREZWYEVYFIH-UHFFFAOYSA-N
Molecular Weight 227.691 g/mol
SMILES N(C1=C(C=CC=C1C)C)C(OCCCl)=O
Spectrum/Structure Validation Score (Raman) 0.96842