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4-Chloro-2,5-xylyl 2,6-dichlorobenzyl sulfide

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

4-Chloro-2,5-xylyl 2,6-dichlorobenzyl sulfide
SpectraBase Compound ID A9Ni1sO7f33
InChI InChI=1S/C15H13Cl3S/c1-9-7-15(10(2)6-14(9)18)19-8-11-12(16)4-3-5-13(11)17/h3-7H,8H2,1-2H3
InChIKey VEIXOXPJOLFVLL-UHFFFAOYSA-N
Mol Weight 331.69 g/mol
Molecular Formula C15H13Cl3S
Exact Mass 329.980355 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 6duKb4C49Dt
Name 4-Chloro-2,5-xylyl 2,6-dichlorobenzyl sulfide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 329.980354693 u
Formula C15H13Cl3S
InChI InChI=1S/C15H13Cl3S/c1-9-7-15(10(2)6-14(9)18)19-8-11-12(16)4-3-5-13(11)17/h3-7H,8H2,1-2H3
InChIKey VEIXOXPJOLFVLL-UHFFFAOYSA-N
Molecular Weight 331.688 g/mol
SMILES C1(=CC(=C(C=C1C)Cl)C)SCC=1C(=CC=CC1Cl)Cl
Spectrum/Structure Validation Score (Raman) 0.75958