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3,5-Dichlorocarbanilic acid, propyl ester

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

3,5-Dichlorocarbanilic acid, propyl ester
SpectraBase Compound ID 9f8haHgTqJN
InChI InChI=1S/C10H11Cl2NO2/c1-2-3-15-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H,13,14)
InChIKey RGKOVFGYYDGIKW-UHFFFAOYSA-N
Mol Weight 248.11 g/mol
Molecular Formula C10H11Cl2NO2
Exact Mass 247.016684 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5of4MldzGgF
Name 3,5-Dichlorocarbanilic acid, propyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.016683996 u
Formula C10H11Cl2NO2
InChI InChI=1S/C10H11Cl2NO2/c1-2-3-15-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H,13,14)
InChIKey RGKOVFGYYDGIKW-UHFFFAOYSA-N
Molecular Weight 248.109 g/mol
SMILES N(C1=CC(=CC(=C1)Cl)Cl)C(OCCC)=O
Spectrum/Structure Validation Score (Raman) 0.920755