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2,2',4-Trichlorocarbanilide

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

2,2',4-Trichlorocarbanilide
SpectraBase Compound ID F6UwAricn9l
InChI InChI=1S/C13H9Cl3N2O/c14-8-5-6-12(10(16)7-8)18-13(19)17-11-4-2-1-3-9(11)15/h1-7H,(H2,17,18,19)
InChIKey RADBTPIJYWRVIP-UHFFFAOYSA-N
Mol Weight 315.59 g/mol
Molecular Formula C13H9Cl3N2O
Exact Mass 313.978046 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID HAuEs2jWhbH
Name 2,2',4-Trichlorocarbanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 313.978046017 u
Formula C13H9Cl3N2O
InChI InChI=1S/C13H9Cl3N2O/c14-8-5-6-12(10(16)7-8)18-13(19)17-11-4-2-1-3-9(11)15/h1-7H,(H2,17,18,19)
InChIKey RADBTPIJYWRVIP-UHFFFAOYSA-N
Molecular Weight 315.587 g/mol
SMILES N(C1=CC=CC=C1Cl)C(NC=1C=CC(=CC1Cl)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.836952