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Diethyl (3-Trifluoromethylphenyl)ethynylphosphonate
SpectraBase Compound ID Fo6v0CfgMuB
InChI InChI=1S/C13H14F3O3P/c1-3-18-20(17,19-4-2)9-8-11-6-5-7-12(10-11)13(14,15)16/h5-7,10H,3-4H2,1-2H3
InChIKey MSJRXGFWRWIMQU-UHFFFAOYSA-N
Mol Weight 306.22 g/mol
Molecular Formula C13H14F3O3P
Exact Mass 306.063266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HydXp35EW2
Name Diethyl (3-Trifluoromethylphenyl)ethynylphosphonate
Alternate Name(s) Diethyl ((3-(trifluoromethyl)phenyl)ethynyl)phosphonate
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Formula C13H14F3O3P
InChI InChI=1S/C13H14F3O3P/c1-3-18-20(17,19-4-2)9-8-11-6-5-7-12(10-11)13(14,15)16/h5-7,10H,3-4H2,1-2H3
InChIKey MSJRXGFWRWIMQU-UHFFFAOYSA-N
Literature Reference DOI 10.1021/acs.joc.5b02528
Molecular Weight 306.221 g/mol
SMILES C(P(OCC)(OCC)=O)#Cc1cc(ccc1)C(F)(F)F
SPLASH splash10-01w0-0940000000-88c9d63fa899cb8e1be4
Source of Spectrum J-81-1817-2g
Wiley ID 1804368