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4,4',5,5'-tetrakis(Trifluoromethyl)-2,2'-bis(1,3-dithiol-2,2'-diyl)-bis( phenylmethanone)
SpectraBase Compound ID AMD1qTcg7HS
InChI InChI=1S/C24H10F12O2S4/c25-21(26,27)15-16(22(28,29)30)40-19(39-15,13(37)11-7-3-1-4-8-11)20(14(38)12-9-5-2-6-10-12)41-17(23(31,32)33)18(42-20)24(34,35)36/h1-10H
InChIKey NOSQLQCDICBJNZ-UHFFFAOYSA-N
Mol Weight 686.6 g/mol
Molecular Formula C24H10F12O2S4
Exact Mass 685.937202 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IAev7g1W0vq
Name 4,4',5,5'-tetrakis(Trifluoromethyl)-2,2'-bis(1,3-dithiol-2,2'-diyl)-bis( phenylmethanone)
Alternate Name(s) {2-[2-benzoyl-4,5-bis(trifluoromethyl)-2H-1,3-dithiol-2-yl]-4,5-bis(trifluoromethyl)-2H-1,3-dithiol-2-yl}(phenyl)methanone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H10F12O2S4
InChI InChI=1S/C24H10F12O2S4/c25-21(26,27)15-16(22(28,29)30)40-19(39-15,13(37)11-7-3-1-4-8-11)20(14(38)12-9-5-2-6-10-12)41-17(23(31,32)33)18(42-20)24(34,35)36/h1-10H
InChIKey NOSQLQCDICBJNZ-UHFFFAOYSA-N
Molecular Weight 686.563 g/mol
SMILES C1(C2(SC(C(F)(F)F)=C(S2)C(F)(F)F)C(=O)c2ccccc2)(SC(C(F)(F)F)=C(S1)C(F)(F)F)C(=O)c1ccccc1
SPLASH splash10-0a4i-0900000000-78a196a150d94b6d0343
Source of Spectrum K-127-537-8
Wiley ID 1414524