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6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl 4-chlorobenzoate
SpectraBase Compound ID IpmsklRtcZD
InChI InChI=1S/C15H13Cl3F6O2/c16-11-5-3-9(4-6-11)12(25)26-7-1-2-10(14(19,20)21)8-13(17,18)15(22,23)24/h3-6,10H,1-2,7-8H2
InChIKey SKEAPPKOBMQSMJ-UHFFFAOYSA-N
Mol Weight 445.62 g/mol
Molecular Formula C15H13Cl3F6O2
Exact Mass 443.988532 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4kQIIPJSQC
Name 6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl 4-chlorobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13Cl3F6O2
InChI InChI=1S/C15H13Cl3F6O2/c16-11-5-3-9(4-6-11)12(25)26-7-1-2-10(14(19,20)21)8-13(17,18)15(22,23)24/h3-6,10H,1-2,7-8H2
InChIKey SKEAPPKOBMQSMJ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201900075
Molecular Weight 445.616 g/mol
SMILES C(CC(C(F)(F)F)(Cl)Cl)(CCCOC(c1ccc(cc1)Cl)=O)C(F)(F)F
SPLASH splash10-0a4r-0900000000-fcacd93c3c3ffc62ebc5
Source of Spectrum CJC-37-SM26-5g
Wiley ID 1819505