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2-Chloro-2',6'-dibromo-p-benzotoluidide

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

2-Chloro-2',6'-dibromo-p-benzotoluidide
SpectraBase Compound ID 15v6UNyh06S
InChI InChI=1S/C14H10Br2ClNO/c1-8-6-10(15)13(11(16)7-8)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19)
InChIKey FDHNHPNOJRGULZ-UHFFFAOYSA-N
Mol Weight 403.5 g/mol
Molecular Formula C14H10Br2ClNO
Exact Mass 400.881768 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 1EaSnnasopO
Name 2-Chloro-2',6'-dibromo-p-benzotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 400.881767645 u
Formula C14H10Br2ClNO
InChI InChI=1S/C14H10Br2ClNO/c1-8-6-10(15)13(11(16)7-8)18-14(19)9-4-2-3-5-12(9)17/h2-7H,1H3,(H,18,19)
InChIKey FDHNHPNOJRGULZ-UHFFFAOYSA-N
Molecular Weight 403.501 g/mol
SMILES N(C1=C(C=C(C=C1Br)C)Br)C(C=1C(=CC=CC1)Cl)=O
Spectrum/Structure Validation Score (Raman) 0.838707