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Isobutyl pentafluorobenzyl methylphosphonate
SpectraBase Compound ID 2q5KZ3YRoMt
InChI InChI=1S/C12H14F5O3P/c1-6(2)4-19-21(3,18)20-5-7-8(13)10(15)12(17)11(16)9(7)14/h6H,4-5H2,1-3H3
InChIKey PGYRABPNITVAOR-UHFFFAOYSA-N
Mol Weight 332.21 g/mol
Molecular Formula C12H14F5O3P
Exact Mass 332.060072 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJr3Fe9ebYT
Name Isobutyl pentafluorobenzyl methylphosphonate
Alternate Name(s) 1,2,3,4,5-pentafluoro-6-[[isobutoxy(methyl)phosphoryl]oxymethyl]benzene 1,2,3,4,5-pentafluoro-6-[[methyl(2-methylpropoxy)phosphoryl]oxymethyl]benzene 1,2,3,4,5-pentakis(fluoranyl)-6-[[methyl(2-methylpropoxy)phosphoryl]oxymethyl]benzene Isobutyl 2,3,4,5,6-pentafluorobenzyl methylphosphonate
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Formula C12H14F5O3P
InChI InChI=1S/C12H14F5O3P/c1-6(2)4-19-21(3,18)20-5-7-8(13)10(15)12(17)11(16)9(7)14/h6H,4-5H2,1-3H3
InChIKey PGYRABPNITVAOR-UHFFFAOYSA-N
Molecular Weight 332.207 g/mol
SMILES c1(c(c(c(c(c1F)F)COP(=O)(C)OCC(C)C)F)F)F
SPLASH splash10-001i-4940000000-15bb0c5f1ca2daddf696
Wiley ID 1470967