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3H-2,1-Benzoxathiole, 1,1-dihydro-5-methyl-1,1-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl) ethoxy]-3,3-bis(trifluoromethyl)-
SpectraBase Compound ID LMbYQ0FbpDR
InChI InChI=1S/C18H6F24O3S/c1-5-2-3-7-6(4-5)8(11(19,20)21,12(22,23)24)43-46(7,44-9(13(25,26)27,14(28,29)30)15(31,32)33)45-10(16(34,35)36,17(37,38)39)18(40,41)42/h2-4H,1H3
InChIKey XONUVVPROUDPBU-UHFFFAOYSA-N
Mol Weight 758.26 g/mol
Molecular Formula C18H6F24O3S
Exact Mass 757.965441 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F2gYByWy5OM
Name 3H-2,1-Benzoxathiole, 1,1-dihydro-5-methyl-1,1-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl) ethoxy]-3,3-bis(trifluoromethyl)-
CAS Registry Number 63780-77-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H6F24O3S
InChI InChI=1S/C18H6F24O3S/c1-5-2-3-7-6(4-5)8(11(19,20)21,12(22,23)24)43-46(7,44-9(13(25,26)27,14(28,29)30)15(31,32)33)45-10(16(34,35)36,17(37,38)39)18(40,41)42/h2-4H,1H3
InChIKey XONUVVPROUDPBU-UHFFFAOYSA-N
Molecular Weight 758.265 g/mol
SMILES C1(OS(c2c1cc(cc2)C)(OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)OC(C(F)(F)F)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-01b9-0190060000-17cba4525175bde3ef26
Source of Spectrum C-99-4401-0
Synonyms 1,1-bis(1,1-bis(trifluoromethyl)-2,2,2-trifluoroethanolato)-5-methyl-3,3-bis(trifluoromethyl)-3H-2,1-benzoxathiole 5-Methyl-1,1-bis[2,2,2-trifluoro-1,1-bis(trifluoromethyl)ethoxy]-3,3-bis(trifluoromethyl)-1,3-dihydro-2,1lambda(4)-benzoxathiole
Wiley ID 1416481