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3-(Heptafluorobutyrylthio)benzoyl chloride

View entire compound with spectra: 1 FTIR

3-(Heptafluorobutyrylthio)benzoyl chloride
SpectraBase Compound ID IUuSpgFsAtF
InChI InChI=1S/C11H4ClF7O2S/c12-7(20)5-2-1-3-6(4-5)22-8(21)9(13,14)10(15,16)11(17,18)19/h1-4H
InChIKey BPOKCLDWSBNTME-UHFFFAOYSA-N
Mol Weight 368.65 g/mol
Molecular Formula C11H4ClF7O2S
Exact Mass 367.950875 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 59VWLfvpl0p
Name 3-(Heptafluorobutyrylthio)benzoyl chloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 367.950875382 u
Formula C11H4ClF7O2S
InChI InChI=1S/C11H4ClF7O2S/c12-7(20)5-2-1-3-6(4-5)22-8(21)9(13,14)10(15,16)11(17,18)19/h1-4H
InChIKey BPOKCLDWSBNTME-UHFFFAOYSA-N
Molecular Weight 368.653 g/mol
SMILES C1=C(C=CC=C1C(=O)Cl)SC(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.951849