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Diethyl 2-(1-(4-bromophenyl)-3,3,4,4,5,5,6,6,6-nonafluorohexyl)malonate
SpectraBase Compound ID ESvaexfkIcM
InChI InChI=1S/C19H18BrF9O4/c1-3-32-14(30)13(15(31)33-4-2)12(10-5-7-11(20)8-6-10)9-16(21,22)17(23,24)18(25,26)19(27,28)29/h5-8,12-13H,3-4,9H2,1-2H3
InChIKey WRQZFQFVHDZCJI-UHFFFAOYSA-N
Mol Weight 561.24 g/mol
Molecular Formula C19H18BrF9O4
Exact Mass 560.024476 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AsW5tojELFy
Name Diethyl 2-(1-(4-bromophenyl)-3,3,4,4,5,5,6,6,6-nonafluorohexyl)malonate
Appearance Pale yellow oil
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Formula C19H18BrF9O4
InChI InChI=1S/C19H18BrF9O4/c1-3-32-14(30)13(15(31)33-4-2)12(10-5-7-11(20)8-6-10)9-16(21,22)17(23,24)18(25,26)19(27,28)29/h5-8,12-13H,3-4,9H2,1-2H3
InChIKey WRQZFQFVHDZCJI-UHFFFAOYSA-N
Instrument Name Agilent Technologies 5973N
Ionization Type EI
Literature Reference DOI 10.1002/anie.202010839
Molecular Weight 561.239 g/mol
SMILES C(C)OC(C(C(=O)OCC)C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)c1ccc(cc1)Br)=O
SPLASH splash10-0udr-0420910000-228bc06b4c18c75340cb
Source of Spectrum ACI-60-SM25-3ea
Wiley ID 1880188