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1,4-di(para-Tolylthio)tetrafluorobenzene

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 MS (GC)

1,4-di(para-Tolylthio)tetrafluorobenzene
SpectraBase Compound ID CuIGkkS0ptb
InChI InChI=1S/C20H14F4S2/c1-11-3-7-13(8-4-11)25-19-15(21)17(23)20(18(24)16(19)22)26-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey NMWVAWVCEHOFCG-UHFFFAOYSA-N
Mol Weight 394.45 g/mol
Molecular Formula C20H14F4S2
Exact Mass 394.047305 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GXtoV2DvuEV
Name 1,4-di(para-Tolylthio)tetrafluorobenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 394.047305451 u
Formula C20H14F4S2
InChI InChI=1S/C20H14F4S2/c1-11-3-7-13(8-4-11)25-19-15(21)17(23)20(18(24)16(19)22)26-14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey NMWVAWVCEHOFCG-UHFFFAOYSA-N
Molecular Weight 394.446 g/mol
SMILES c1(c(c(F)c(c(c1F)F)Sc1ccc(cc1)C)F)Sc1ccc(cc1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890405