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(3R,4R)-5,5,6,6,6-pentafluoro-4-hydroxy-3-(p-tolylsulfanyl)hexanoic acid
SpectraBase Compound ID 2559l3Js3nt
InChI InChI=1S/C13H13F5O3S/c1-7-2-4-8(5-3-7)22-9(6-10(19)20)11(21)12(14,15)13(16,17)18/h2-5,9,11,21H,6H2,1H3,(H,19,20)/t9-,11+/m1/s1
InChIKey LCLHLYNKLVLFLH-KOLCDFICSA-N
Mol Weight 344.3 g/mol
Molecular Formula C13H13F5O3S
Exact Mass 344.050556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FysEilB934a
Name (3R,4R)-5,5,6,6,6-pentafluoro-4-hydroxy-3-(p-tolylsulfanyl)hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13F5O3S
InChI InChI=1S/C13H13F5O3S/c1-7-2-4-8(5-3-7)22-9(6-10(19)20)11(21)12(14,15)13(16,17)18/h2-5,9,11,21H,6H2,1H3,(H,19,20)/t9-,11+/m1/s1
InChIKey LCLHLYNKLVLFLH-KOLCDFICSA-N
Molecular Weight 344.296 g/mol
SMILES OC(C[C@]([C@@](C(C(F)(F)F)(F)F)(O)[H])(Sc1ccc(cc1)C)[H])=O
SPLASH splash10-002g-5906000000-43a1f39d15d92a89a523
Source of Spectrum U1-2002-1899-6
Synonyms (3R,4R)-5,5,6,6,6-pentafluoro-4-hydroxy-3-(p-tolylthio)hexanoic acid (3R,4R)-5,5,6,6,6-pentafluoro-4-hydroxy-3-[(4-methylphenyl)thio]hexanoic acid (3R,4R)-5,5,6,6,6-pentakis(fluoranyl)-3-(4-methylphenyl)sulfanyl-4-oxidanyl-hexanoic acid
Wiley ID 1522641