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Methyl 2,6-dichloro-4-(perfluorohexyl)benzoate
SpectraBase Compound ID 7MPXG7vJS31
InChI InChI=1S/C14H5Cl2F13O2/c1-31-8(30)7-5(15)2-4(3-6(7)16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-3H,1H3
InChIKey PDKALYDGNIUDJH-UHFFFAOYSA-N
Mol Weight 523.08 g/mol
Molecular Formula C14H5Cl2F13O2
Exact Mass 521.945901 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AQTCQhv2uCP
Name Methyl 2,6-dichloro-4-(perfluorohexyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H5Cl2F13O2
InChI InChI=1S/C14H5Cl2F13O2/c1-31-8(30)7-5(15)2-4(3-6(7)16)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h2-3H,1H3
InChIKey PDKALYDGNIUDJH-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.12.026
Molecular Weight 523.077 g/mol
SMILES C(c1c(cc(cc1Cl)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cl)(=O)OC
SPLASH splash10-0006-0120910000-903f08cdc006a4c7b61a
Source of Spectrum F-72-723-8a
Wiley ID 1806022