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1,4-Difluoro-tetrakis(phenylthio)benzene

View entire compound with spectra: 2 NMR

1,4-Difluoro-tetrakis(phenylthio)benzene
SpectraBase Compound ID HH2dehETxRs
InChI InChI=1S/C30H20F2S4/c31-25-27(33-21-13-5-1-6-14-21)28(34-22-15-7-2-8-16-22)26(32)30(36-24-19-11-4-12-20-24)29(25)35-23-17-9-3-10-18-23/h1-20H
InChIKey JATSSUJJTGZOAP-UHFFFAOYSA-N
Mol Weight 546.7 g/mol
Molecular Formula C30H20F2S4
Exact Mass 546.041592 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D2hLPRS6C5V
Name 1,4-Difluoro-tetrakis(phenylthio)benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 546.041591666 u
Formula C30H20F2S4
InChI InChI=1S/C30H20F2S4/c31-25-27(33-21-13-5-1-6-14-21)28(34-22-15-7-2-8-16-22)26(32)30(36-24-19-11-4-12-20-24)29(25)35-23-17-9-3-10-18-23/h1-20H
InChIKey JATSSUJJTGZOAP-UHFFFAOYSA-N
Molecular Weight 546.727 g/mol
SMILES c1(c(c(Sc2ccccc2)c(c(c1Sc1ccccc1)Sc1ccccc1)F)Sc1ccccc1)F