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Methyl 2,6-dichloro-4-(perfluorobutyl)benzoate

View entire compound with spectra: 1 MS (GC)

Methyl 2,6-dichloro-4-(perfluorobutyl)benzoate
SpectraBase Compound ID HRTKtZYVnOu
InChI InChI=1S/C12H5Cl2F9O2/c1-25-8(24)7-5(13)2-4(3-6(7)14)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-3H,1H3
InChIKey OSXDBFQJDAGXNQ-UHFFFAOYSA-N
Mol Weight 423.06 g/mol
Molecular Formula C12H5Cl2F9O2
Exact Mass 421.952288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7zFySz9keeE
Name Methyl 2,6-dichloro-4-(perfluorobutyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H5Cl2F9O2
InChI InChI=1S/C12H5Cl2F9O2/c1-25-8(24)7-5(13)2-4(3-6(7)14)9(15,16)10(17,18)11(19,20)12(21,22)23/h2-3H,1H3
InChIKey OSXDBFQJDAGXNQ-UHFFFAOYSA-N
Literature Reference DOI 10.1016/j.tet.2015.12.026
Molecular Weight 423.062 g/mol
SMILES C(c1c(cc(cc1Cl)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)Cl)(=O)OC
SPLASH splash10-0006-0119200000-e2d5b85bef3216910455
Source of Spectrum F-72-723-8b
Wiley ID 1806023