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Acetic acid, trifluoro-, 2-[4-[[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]sulfinyl]phenyl]ethyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]-
SpectraBase Compound ID DmQAZTRr8EG
InChI InChI=1S/C20H27F3O4S/c1-13(2)17-9-4-14(3)12-18(17)27-28(25)16-7-5-15(6-8-16)10-11-26-19(24)20(21,22)23/h5-8,13-14,17-18H,4,9-12H2,1-3H3/t14?,17-,18-,28?/m1/s1
InChIKey JWPROUUUKJFZBV-PVDGLJSKSA-N
Mol Weight 420.49 g/mol
Molecular Formula C20H27F3O4S
Exact Mass 420.158215 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FGsucgSbdYl
Name Acetic acid, trifluoro-, 2-[4-[[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]sulfinyl]phenyl]ethyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]-
CAS Registry Number 113344-70-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H27F3O4S
InChI InChI=1S/C20H27F3O4S/c1-13(2)17-9-4-14(3)12-18(17)27-28(25)16-7-5-15(6-8-16)10-11-26-19(24)20(21,22)23/h5-8,13-14,17-18H,4,9-12H2,1-3H3/t14?,17-,18-,28?/m1/s1
InChIKey JWPROUUUKJFZBV-PVDGLJSKSA-N
Molecular Weight 420.487 g/mol
SMILES [C@@]1(O[S@@](c2ccc(cc2)CCOC(C(F)(F)F)=O)=O)([C@](CCC(C1)C)(C(C)C)[H])[H]
SPLASH splash10-001i-9300000000-83e300ba125e63e63582
Source of Spectrum B-40-73-14
Synonyms (-)-Menthyl p-(2-trifluoroacetoxyethyl)benzenesulfinate 2-[4-({[(1R,2R)-2-isopropyl-5-methylcyclohexyl]oxy}sulfinyl)phenyl]ethyl trifluoroacetate
Wiley ID 1377852