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1,4-Benzenedithiol, S,S'-di(pentafluoropropionyl)-

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

1,4-Benzenedithiol, S,S'-di(pentafluoropropionyl)-
SpectraBase Compound ID JwphnaMd7BK
InChI InChI=1S/C12H4F10O2S2/c13-9(14,11(17,18)19)7(23)25-5-1-2-6(4-3-5)26-8(24)10(15,16)12(20,21)22/h1-4H
InChIKey CNNBIUFJFWNVAP-UHFFFAOYSA-N
Mol Weight 434.27 g/mol
Molecular Formula C12H4F10O2S2
Exact Mass 433.949303 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID E05lzqu2nRC
Name 1,4-Benzenedithiol, S,S'-di(pentafluoropropionyl)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 433.949303345 u
Formula C12H4F10O2S2
InChI InChI=1S/C12H4F10O2S2/c13-9(14,11(17,18)19)7(23)25-5-1-2-6(4-3-5)26-8(24)10(15,16)12(20,21)22/h1-4H
InChIKey CNNBIUFJFWNVAP-UHFFFAOYSA-N
Molecular Weight 434.266 g/mol
SMILES C1(=CC=C(C=C1)SC(C(C(F)(F)F)(F)F)=O)SC(C(C(F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.954171