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4-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-BENZOTOLUIDIDE

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

4-CHLORO-alpha,alpha,alpha-TRIFLUORO-m-BENZOTOLUIDIDE
SpectraBase Compound ID 308wFiQfFtm
InChI InChI=1S/C14H9ClF3NO/c15-11-6-4-9(5-7-11)13(20)19-12-3-1-2-10(8-12)14(16,17)18/h1-8H,(H,19,20)
InChIKey CYGUDVRQWCWLAA-UHFFFAOYSA-N
Mol Weight 299.68 g/mol
Molecular Formula C14H9ClF3NO
Exact Mass 299.032476 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID CFoujRyThJv
Name 4-Chloro-A,A,A-trifluoro-m-benzotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 299.032476102 u
Formula C14H9ClF3NO
InChI InChI=1S/C14H9ClF3NO/c15-11-6-4-9(5-7-11)13(20)19-12-3-1-2-10(8-12)14(16,17)18/h1-8H,(H,19,20)
InChIKey CYGUDVRQWCWLAA-UHFFFAOYSA-N
Molecular Weight 299.680 g/mol
SMILES N(C1=CC=CC(=C1)C(F)(F)F)C(C=1C=CC(=CC1)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.825005