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3,3,3-Trifluoro-2-trifluoromethyl-thiopropionic acid 3,5-di-tert-butyl-4-hydroxy-phenyl ester
SpectraBase Compound ID CxN873rE0VW
InChI InChI=1S/C18H22F6O2S/c1-15(2,3)10-7-9(8-11(12(10)25)16(4,5)6)27-14(26)13(17(19,20)21)18(22,23)24/h7-8,13,25H,1-6H3
InChIKey FSFCWSSQWSZJFK-UHFFFAOYSA-N
Mol Weight 416.42 g/mol
Molecular Formula C18H22F6O2S
Exact Mass 416.12447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GaiE7sTv9KO
Name 3,3,3-Trifluoro-2-trifluoromethyl-thiopropionic acid 3,5-di-tert-butyl-4-hydroxy-phenyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H22F6O2S
InChI InChI=1S/C18H22F6O2S/c1-15(2,3)10-7-9(8-11(12(10)25)16(4,5)6)27-14(26)13(17(19,20)21)18(22,23)24/h7-8,13,25H,1-6H3
InChIKey FSFCWSSQWSZJFK-UHFFFAOYSA-N
Molecular Weight 416.422 g/mol
SMILES Oc1c(cc(SC(C(C(F)(F)F)C(F)(F)F)=O)cc1C(C)(C)C)C(C)(C)C
SPLASH splash10-0ap3-9420200000-d95e42d55fee13c35f2b
Synonyms 3,3,3-trifluoro-2-(trifluoromethyl)propanethioic acid S-(3,5-ditert-butyl-4-hydroxy-phenyl) ester S-(3,5-ditert-butyl-4-hydroxy-phenyl) 3,3,3-trifluoro-2-(trifluoromethyl)propanethioate S-(3,5-ditert-butyl-4-oxidanyl-phenyl) 3,3,3-tris(fluoranyl)-2-(trifluoromethyl)propanethioate 3,3,3-trifluoro-2-(trifluoromethyl)propanethioic acid S-(3,5-ditert-butyl-4-hydroxyphenyl) ester
Wiley ID 1466610