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1-Chloranyl-4-(fluoranylmethylsulfanyl)benzene
SpectraBase Compound ID AaVm0V5U4uw
InChI InChI=1S/C7H6ClFS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H,5H2
InChIKey JMWLQGNTPBIYIE-UHFFFAOYSA-N
Mol Weight 176.64 g/mol
Molecular Formula C7H6ClFS
Exact Mass 175.986277 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IWEiaNAtl5V
Name 1-Chloranyl-4-(fluoranylmethylsulfanyl)benzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 175.986277230 u
Formula C7H6ClFS
InChI InChI=1S/C7H6ClFS/c8-6-1-3-7(4-2-6)10-5-9/h1-4H,5H2
InChIKey JMWLQGNTPBIYIE-UHFFFAOYSA-N
Molecular Weight 176.636 g/mol
SMILES C(F)SC=1C=CC(=CC1)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881268