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Benzyl 5-[(diethoxyphosphoryl)difluoromethyl]-2-(trifluoromethylsulfonyloxy)benzoate
SpectraBase Compound ID DASHyfn3rNJ
InChI InChI=1S/C20H20F5O8PS/c1-3-31-34(27,32-4-2)19(21,22)15-10-11-17(33-35(28,29)20(23,24)25)16(12-15)18(26)30-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKey CXEMLERMXZJQNB-UHFFFAOYSA-N
Mol Weight 546.4 g/mol
Molecular Formula C20H20F5O8PS
Exact Mass 546.053667 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5C1Yr9tdD6
Name Benzyl 5-[(diethoxyphosphoryl)difluoromethyl]-2-(trifluoromethylsulfonyloxy)benzoate
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Formula C20H20F5O8PS
InChI InChI=1S/C20H20F5O8PS/c1-3-31-34(27,32-4-2)19(21,22)15-10-11-17(33-35(28,29)20(23,24)25)16(12-15)18(26)30-13-14-8-6-5-7-9-14/h5-12H,3-4,13H2,1-2H3
InChIKey CXEMLERMXZJQNB-UHFFFAOYSA-N
Molecular Weight 546.398 g/mol
SMILES C(S(Oc1c(cc(C(P(=O)(OCC)OCC)(F)F)cc1)C(OCc1ccccc1)=O)(=O)=O)(F)(F)F
SPLASH splash10-06r6-7004910000-0b97d1665d8c8a554d1f
Source of Spectrum KC-0-2595-13
Synonyms 5-[diethoxyphosphoryl(difluoro)methyl]-2-(trifluoromethylsulfonyloxy)benzoic acid (phenylmethyl) ester benzyl 5-[diethoxyphosphoryl(difluoro)methyl]-2-(trifluoromethylsulfonyloxy)benzoate (phenylmethyl) 5-[diethoxyphosphoryl-bis(fluoranyl)methyl]-2-(trifluoromethylsulfonyloxy)benzoate
Wiley ID 831322