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2-[[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]thio]acetic acid ethyl ester
SpectraBase Compound ID 7vczwthtS2c
InChI InChI=1S/C14H14F6O3S/c1-3-23-11(21)7-24-10-5-4-8(2)6-9(10)12(22,13(15,16)17)14(18,19)20/h4-6,22H,3,7H2,1-2H3
InChIKey HBUXUVXTDYGZFN-UHFFFAOYSA-N
Mol Weight 376.31 g/mol
Molecular Formula C14H14F6O3S
Exact Mass 376.056784 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AWaKeoZkKiU
Name 2-[[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]thio]acetic acid ethyl ester
CAS Registry Number 63780-80-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14F6O3S
InChI InChI=1S/C14H14F6O3S/c1-3-23-11(21)7-24-10-5-4-8(2)6-9(10)12(22,13(15,16)17)14(18,19)20/h4-6,22H,3,7H2,1-2H3
InChIKey HBUXUVXTDYGZFN-UHFFFAOYSA-N
Molecular Weight 376.313 g/mol
SMILES OC(C(F)(F)F)(C(F)(F)F)c1c(SCC(OCC)=O)ccc(c1)C
SPLASH splash10-0fb9-0059000000-65885124cf9eed3ff0e9
Source of Spectrum C-99-4396-0
Synonyms 2-[[4-methyl-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]thio]acetic acid ethyl ester Ethyl 2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]sulfanylacetate Ethyl 2-[2-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]-4-methyl-phenyl]sulfanylethanoate Ethyl 2-[4-methyl-2-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl]sulfanylacetate
Wiley ID 1357417