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1-Phenyl-1-(trifluoromethyl)-2,2,2-trifluoroethyl tosylate
SpectraBase Compound ID 1KzvfDxmtjk
InChI InChI=1S/C16H12F6O3S/c1-11-7-9-13(10-8-11)26(23,24)25-14(15(17,18)19,16(20,21)22)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey XKSMEXUARMDKCR-UHFFFAOYSA-N
Mol Weight 398.32 g/mol
Molecular Formula C16H12F6O3S
Exact Mass 398.041134 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9jPPsG6aVjT
Name 1-Phenyl-1-(trifluoromethyl)-2,2,2-trifluoroethyl tosylate
Alternate Name(s) 2,2,2-trifluoro-1-phenyl-1-(trifluoromethyl)ethyl 4-methylbenzenesulfonate
CAS Registry Number 86669-60-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12F6O3S
InChI InChI=1S/C16H12F6O3S/c1-11-7-9-13(10-8-11)26(23,24)25-14(15(17,18)19,16(20,21)22)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey XKSMEXUARMDKCR-UHFFFAOYSA-N
Molecular Weight 398.319 g/mol
SMILES C(OS(c1ccc(cc1)C)(=O)=O)(C(F)(F)F)(C(F)(F)F)c1ccccc1
SPLASH splash10-0002-0079000000-9b97417c44785d8cc2ba
Source of Spectrum J-50-508-4
Wiley ID 1368158