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2-(((4-bromophenyl)sulfanyl)methyl)-1-chloro-3-fluorobenzene

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

2-(((4-bromophenyl)sulfanyl)methyl)-1-chloro-3-fluorobenzene
SpectraBase Compound ID EvNI7Fr3OFS
InChI InChI=1S/C13H9BrClFS/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2
InChIKey LACRSDXERPSWKB-UHFFFAOYSA-N
Mol Weight 331.63 g/mol
Molecular Formula C13H9BrClFS
Exact Mass 329.92809 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 330nRAjxwFP
Name 2-(((4-bromophenyl)sulfanyl)methyl)-1-chloro-3-fluorobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.928090327 u
Formula C13H9BrClFS
InChI InChI=1S/C13H9BrClFS/c14-9-4-6-10(7-5-9)17-8-11-12(15)2-1-3-13(11)16/h1-7H,8H2
InChIKey LACRSDXERPSWKB-UHFFFAOYSA-N
Molecular Weight 331.630 g/mol
SMILES C1(CSC2=CC=C(C=C2)Br)=C(F)C=CC=C1Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.808757