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4-Bromo-2-chloro-3'-methoxythiocarbanilide

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

4-Bromo-2-chloro-3'-methoxythiocarbanilide
SpectraBase Compound ID BOHnESAij3e
InChI InChI=1S/C14H12BrClN2OS/c1-19-11-4-2-3-10(8-11)17-14(20)18-13-6-5-9(15)7-12(13)16/h2-8H,1H3,(H2,17,18,20)
InChIKey USVKMDPDCLYHPK-UHFFFAOYSA-N
Mol Weight 371.68 g/mol
Molecular Formula C14H12BrClN2OS
Exact Mass 369.954225 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID BvIILXl9RdS
Name 4-Bromo-2-chloro-3'-methoxythiocarbanilide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.954224887 u
Formula C14H12BrClN2OS
InChI InChI=1S/C14H12BrClN2OS/c1-19-11-4-2-3-10(8-11)17-14(20)18-13-6-5-9(15)7-12(13)16/h2-8H,1H3,(H2,17,18,20)
InChIKey USVKMDPDCLYHPK-UHFFFAOYSA-N
Molecular Weight 371.680 g/mol
SMILES N(C1=CC=CC(=C1)OC)C(NC=1C(=CC(=CC1)Br)Cl)=S
Spectrum/Structure Validation Score (Raman) 0.846307