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2,2,2-Trifluoro-1-phenylethyl 4-methylbenzenesulfonate
SpectraBase Compound ID Gyp5Kw5ab9C
InChI InChI=1S/C15H13F3O3S/c1-11-7-9-13(10-8-11)22(19,20)21-14(15(16,17)18)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey ZQSPVDCJGDZANF-UHFFFAOYSA-N
Mol Weight 330.32 g/mol
Molecular Formula C15H13F3O3S
Exact Mass 330.05375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 66yB9vqyvhj
Name 2,2,2-Trifluoro-1-phenylethyl 4-methylbenzenesulfonate
Alternate Name(s) 2,2,2-Trifluoro-1-phenylethyl p-toluenesulfonate 4-Methylbenzenesulfonic acid (2,2,2-trifluoro-1-phenyl-ethyl) ester 4-Methylbenzenesulfonic acid (2,2,2-trifluoro-1-phenylethyl) ester (2,2,2-trifluoro-1-phenylethyl) 4-methylbenzenesulfonate (2,2,2-trifluoro-1-phenyl-ethyl) 4-methylbenzenesulfonate
CAS Registry Number 13652-13-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13F3O3S
InChI InChI=1S/C15H13F3O3S/c1-11-7-9-13(10-8-11)22(19,20)21-14(15(16,17)18)12-5-3-2-4-6-12/h2-10,14H,1H3
InChIKey ZQSPVDCJGDZANF-UHFFFAOYSA-N
Molecular Weight 330.321 g/mol
SMILES C(OS(=O)(=O)c1ccc(C)cc1)(C(F)(F)F)c1ccccc1
SPLASH splash10-0a4l-6900000000-b192306bd8613e808b89
Source of Spectrum W5-1989-6845-1
Wiley ID 1327526