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(4,4,4-trifluoro-3-hydroxy-butyl) 4-methylbenzenesulfonate

View entire compound with spectra: 1 MS (GC)

(4,4,4-trifluoro-3-hydroxy-butyl) 4-methylbenzenesulfonate
SpectraBase Compound ID IEtQPWjWmtj
InChI InChI=1S/C11H13F3O4S/c1-8-2-4-9(5-3-8)19(16,17)18-7-6-10(15)11(12,13)14/h2-5,10,15H,6-7H2,1H3
InChIKey OJNYFPDUUFJQBL-UHFFFAOYSA-N
Mol Weight 298.28 g/mol
Molecular Formula C11H13F3O4S
Exact Mass 298.048665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iuqj0f0nvYP
Name (4,4,4-trifluoro-3-hydroxy-butyl) 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13F3O4S
InChI InChI=1S/C11H13F3O4S/c1-8-2-4-9(5-3-8)19(16,17)18-7-6-10(15)11(12,13)14/h2-5,10,15H,6-7H2,1H3
InChIKey OJNYFPDUUFJQBL-UHFFFAOYSA-N
Molecular Weight 298.276 g/mol
SMILES OC(C(F)(F)F)CCOS(c1ccc(cc1)C)(=O)=O
SPLASH splash10-00dj-0960000000-f31a1d333bedc5235239
Source of Spectrum J-60-5439-0
Synonyms 4-Methylbenzenesulfonic acid (4,4,4-trifluoro-3-hydroxy-butyl) ester 4-Methylbenzenesulfonic acid (4,4,4-trifluoro-3-hydroxybutyl) ester (4,4,4-trifluoro-3-hydroxybutyl) 4-methylbenzenesulfonate
Wiley ID 1300504