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6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl 4-(tert-butyl)benzoate
SpectraBase Compound ID CiCFCucAhoB
InChI InChI=1S/C19H22Cl2F6O2/c1-16(2,3)13-8-6-12(7-9-13)15(28)29-10-4-5-14(18(22,23)24)11-17(20,21)19(25,26)27/h6-9,14H,4-5,10-11H2,1-3H3
InChIKey SHUINXJXYBSDOY-UHFFFAOYSA-N
Mol Weight 467.28 g/mol
Molecular Formula C19H22Cl2F6O2
Exact Mass 466.090104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2R5cFIXcyoJ
Name 6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl 4-(tert-butyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H22Cl2F6O2
InChI InChI=1S/C19H22Cl2F6O2/c1-16(2,3)13-8-6-12(7-9-13)15(28)29-10-4-5-14(18(22,23)24)11-17(20,21)19(25,26)27/h6-9,14H,4-5,10-11H2,1-3H3
InChIKey SHUINXJXYBSDOY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201900075
Molecular Weight 467.279 g/mol
SMILES C(CC(C(F)(F)F)(Cl)Cl)(CCCOC(c1ccc(cc1)C(C)(C)C)=O)C(F)(F)F
SPLASH splash10-0w29-1600900000-f778ce064c657820fd6e
Source of Spectrum CJC-37-SM27-5h
Wiley ID 1819506