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7,7-Dichloro-8,8,8-trifluoro-1-(4-fluorophenyl)-5-(trifluoromethyl)octan-1-one
SpectraBase Compound ID 5DBjhMEG4m8
InChI InChI=1S/C15H13Cl2F7O/c16-13(17,15(22,23)24)8-10(14(19,20)21)2-1-3-12(25)9-4-6-11(18)7-5-9/h4-7,10H,1-3,8H2
InChIKey BSOUVEUWHIMKDD-UHFFFAOYSA-N
Mol Weight 413.16 g/mol
Molecular Formula C15H13Cl2F7O
Exact Mass 412.023168 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6XSJ7cv237G
Name 7,7-Dichloro-8,8,8-trifluoro-1-(4-fluorophenyl)-5-(trifluoromethyl)octan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13Cl2F7O
InChI InChI=1S/C15H13Cl2F7O/c16-13(17,15(22,23)24)8-10(14(19,20)21)2-1-3-12(25)9-4-6-11(18)7-5-9/h4-7,10H,1-3,8H2
InChIKey BSOUVEUWHIMKDD-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201900075
Molecular Weight 413.163 g/mol
SMILES C(CC(C(F)(F)F)(Cl)Cl)(CCCC(c1ccc(cc1)F)=O)C(F)(F)F
SPLASH splash10-00di-1900000000-e31b66b44ee424939d00
Source of Spectrum CJC-37-SM33-5u
Wiley ID 1819518