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2-Bromo-6'-chloro-o-butyrotoluidide

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

2-Bromo-6'-chloro-o-butyrotoluidide
SpectraBase Compound ID 9YZihOKidEM
InChI InChI=1S/C11H13BrClNO/c1-3-8(12)11(15)14-10-7(2)5-4-6-9(10)13/h4-6,8H,3H2,1-2H3,(H,14,15)
InChIKey XJNXEWLGGWKBPT-UHFFFAOYSA-N
Mol Weight 290.59 g/mol
Molecular Formula C11H13BrClNO
Exact Mass 288.986905 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 7rqc7MaWUif
Name 2-Bromo-6'-chloro-o-butyrotoluidide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 288.986904742 u
Formula C11H13BrClNO
InChI InChI=1S/C11H13BrClNO/c1-3-8(12)11(15)14-10-7(2)5-4-6-9(10)13/h4-6,8H,3H2,1-2H3,(H,14,15)
InChIKey XJNXEWLGGWKBPT-UHFFFAOYSA-N
Molecular Weight 290.588 g/mol
SMILES N(C1=C(C=CC=C1Cl)C)C(C(CC)Br)=O
Spectrum/Structure Validation Score (Raman) 0.780511