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2-Bromo-6'-chloro-o-benzotoluidide

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

2-Bromo-6'-chloro-o-benzotoluidide
SpectraBase Compound ID LkkipefTqOl
InChI InChI=1S/C14H11BrClNO/c1-9-5-4-8-12(16)13(9)17-14(18)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18)
InChIKey FEYNVGYGVTUGGP-UHFFFAOYSA-N
Mol Weight 324.61 g/mol
Molecular Formula C14H11BrClNO
Exact Mass 322.971255 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 4bvT6iMJxzb
Name 2-Bromo-6'-chloro-o-benzotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.971254677 u
Formula C14H11BrClNO
InChI InChI=1S/C14H11BrClNO/c1-9-5-4-8-12(16)13(9)17-14(18)10-6-2-3-7-11(10)15/h2-8H,1H3,(H,17,18)
InChIKey FEYNVGYGVTUGGP-UHFFFAOYSA-N
Molecular Weight 324.605 g/mol
SMILES N(C1=C(C=CC=C1Cl)C)C(C=1C(=CC=CC1)Br)=O
Spectrum/Structure Validation Score (Raman) 0.986167