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3H-2,1-Benzoxathiole, 1,1-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1,1-bis[2,2,2-trifluoro -1-phenyl-1-(trifluoromethyl)ethoxy]-
SpectraBase Compound ID wVgG2Pbbtp
InChI InChI=1S/C28H16F18O3S/c1-15-12-13-19-18(14-15)22(27(41,42)43,28(44,45)46)49-50(19,47-20(23(29,30)31,24(32,33)34)16-8-4-2-5-9-16)48-21(25(35,36)37,26(38,39)40)17-10-6-3-7-11-17/h2-14H,1H3
InChIKey AAOOMICUYIAYLI-UHFFFAOYSA-N
Mol Weight 774.46 g/mol
Molecular Formula C28H16F18O3S
Exact Mass 774.053272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7K5v7WY3f9O
Name 3H-2,1-Benzoxathiole, 1,1-dihydro-5-methyl-3,3-bis(trifluoromethyl)-1,1-bis[2,2,2-trifluoro -1-phenyl-1-(trifluoromethyl)ethoxy]-
CAS Registry Number 57565-51-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H16F18O3S
InChI InChI=1S/C28H16F18O3S/c1-15-12-13-19-18(14-15)22(27(41,42)43,28(44,45)46)49-50(19,47-20(23(29,30)31,24(32,33)34)16-8-4-2-5-9-16)48-21(25(35,36)37,26(38,39)40)17-10-6-3-7-11-17/h2-14H,1H3
InChIKey AAOOMICUYIAYLI-UHFFFAOYSA-N
Molecular Weight 774.464 g/mol
SMILES C1(OS(c2c1cc(cc2)C)(OC(C(F)(F)F)(C(F)(F)F)c1ccccc1)OC(C(F)(F)F)(C(F)(F)F)c1ccccc1)(C(F)(F)F)C(F)(F)F
SPLASH splash10-004i-0090010000-a82277eb11c36985e72d
Source of Spectrum C-99-4397-0
Synonyms 1,1-bis(1-trifluoromethyl-1-phenyl-2,2,2-triflueroethanalato)-5-methyl-3,3-bis(trifluoromethyl)-3H-2,1-benzoxathiole 5-Methyl-3,3-bis(trifluoromethyl)-1,1-bis[2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethoxy]-1,3-dihydro-2,1lambda(4)-benzoxathiole
Wiley ID 1416769