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4,6'-Dichloro-o-benzotoluidide

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

4,6'-Dichloro-o-benzotoluidide
SpectraBase Compound ID JQLhwefHBa8
InChI InChI=1S/C14H11Cl2NO/c1-9-3-2-4-12(16)13(9)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18)
InChIKey XNIABZLCPFFSRW-UHFFFAOYSA-N
Mol Weight 280.15 g/mol
Molecular Formula C14H11Cl2NO
Exact Mass 279.021769 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 5sIYhAtYZl4
Name 4,6'-Dichloro-o-benzotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 279.021769377 u
Formula C14H11Cl2NO
InChI InChI=1S/C14H11Cl2NO/c1-9-3-2-4-12(16)13(9)17-14(18)10-5-7-11(15)8-6-10/h2-8H,1H3,(H,17,18)
InChIKey XNIABZLCPFFSRW-UHFFFAOYSA-N
Molecular Weight 280.154 g/mol
SMILES N(C1=C(C=CC=C1Cl)C)C(C=1C=CC(=CC1)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.79052