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5,5-Dichloro-6,6,6-trifluoro-3-(trifluoromethyl)hexyl 4-methylbenzenesulfonate
SpectraBase Compound ID 6K8bgxLSo0A
InChI InChI=1S/C14H14Cl2F6O3S/c1-9-2-4-11(5-3-9)26(23,24)25-7-6-10(13(17,18)19)8-12(15,16)14(20,21)22/h2-5,10H,6-8H2,1H3
InChIKey NLTYRCKMZSZZFE-UHFFFAOYSA-N
Mol Weight 447.22 g/mol
Molecular Formula C14H14Cl2F6O3S
Exact Mass 445.99449 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DgDGqR1w9xa
Name 5,5-Dichloro-6,6,6-trifluoro-3-(trifluoromethyl)hexyl 4-methylbenzenesulfonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14Cl2F6O3S
InChI InChI=1S/C14H14Cl2F6O3S/c1-9-2-4-11(5-3-9)26(23,24)25-7-6-10(13(17,18)19)8-12(15,16)14(20,21)22/h2-5,10H,6-8H2,1H3
InChIKey NLTYRCKMZSZZFE-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201900075
Molecular Weight 447.219 g/mol
SMILES C(CC(C(F)(F)F)(Cl)Cl)(CCOS(c1ccc(cc1)C)(=O)=O)C(F)(F)F
SPLASH splash10-0a4i-3900000000-f9c94430f9dba6a2b682
Source of Spectrum CJC-37-SM28-5k
Wiley ID 1819509