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4-((6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl)oxy)benzonitrile
SpectraBase Compound ID Kmlnv1joaR4
InChI InChI=1S/C15H13Cl2F6NO/c16-13(17,15(21,22)23)8-11(14(18,19)20)2-1-7-25-12-5-3-10(9-24)4-6-12/h3-6,11H,1-2,7-8H2
InChIKey VEZXYBILQTYWAZ-UHFFFAOYSA-N
Mol Weight 408.17 g/mol
Molecular Formula C15H13Cl2F6NO
Exact Mass 407.027838 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4DjlE11sJwB
Name 4-((6,6-Dichloro-7,7,7-trifluoro-4-(trifluoromethyl)heptyl)oxy)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13Cl2F6NO
InChI InChI=1S/C15H13Cl2F6NO/c16-13(17,15(21,22)23)8-11(14(18,19)20)2-1-7-25-12-5-3-10(9-24)4-6-12/h3-6,11H,1-2,7-8H2
InChIKey VEZXYBILQTYWAZ-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.201900075
Molecular Weight 408.171 g/mol
SMILES C(CC(C(F)(F)F)(Cl)Cl)(CCCOc1ccc(cc1)C#N)C(F)(F)F
SPLASH splash10-014i-0900100000-f2c24c5b913b003d84ee
Source of Spectrum CJC-37-SM26-5f
Wiley ID 1819504