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1,2,3,4-tetraphenyl-5,6-bis(trifluoromethylthio)benzene
SpectraBase Compound ID 6DB9GpFSvTA
InChI InChI=1S/C32H20F6S2/c33-31(34,35)39-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)40-32(36,37)38/h1-20H
InChIKey KWRLQYFOEFHQBM-UHFFFAOYSA-N
Mol Weight 582.6 g/mol
Molecular Formula C32H20F6S2
Exact Mass 582.091062 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7LPh8HVF4FN
Name 1,2,3,4-tetraphenyl-5,6-bis(trifluoromethylthio)benzene
Alternate Name(s) 1,2,3,4-tetraphenyl-5,6-bis[(trifluoromethyl)sulfanyl]benzene
CAS Registry Number 114861-71-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H20F6S2
InChI InChI=1S/C32H20F6S2/c33-31(34,35)39-29-27(23-17-9-3-10-18-23)25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)30(29)40-32(36,37)38/h1-20H
InChIKey KWRLQYFOEFHQBM-UHFFFAOYSA-N
Molecular Weight 582.622 g/mol
SMILES c1(c(c(-c2ccccc2)c(c(c1-c1ccccc1)-c1ccccc1)-c1ccccc1)SC(F)(F)F)SC(F)(F)F
SPLASH splash10-01q9-0000690000-ea4bc910215c82cf55ba
Source of Spectrum K-121-1838-4
Wiley ID 1408653