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Phosphonic acid, [2-phenyl-1-(trifluoromethyl)-1-propenyl]-, diethyl ester, (Z)-
SpectraBase Compound ID FrIybSettWG
InChI InChI=1S/C14H18F3O3P/c1-4-19-21(18,20-5-2)13(14(15,16)17)11(3)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11+
InChIKey WBVJBHDMFJMFOZ-ACCUITESSA-N
Mol Weight 322.26 g/mol
Molecular Formula C14H18F3O3P
Exact Mass 322.094566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3KZWvTDsmKV
Name Phosphonic acid, [2-phenyl-1-(trifluoromethyl)-1-propenyl]-, diethyl ester, (Z)-
Alternate Name(s) diethyl (1E)-2-phenyl-1-(trifluoromethyl)-1-propenylphosphonate Diethyl (2-phenyl-1-trifluoromethylprop-1-enyl)phosphonate
CAS Registry Number 129271-93-8
Comments Less than 3 mono-isotopic peaks
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Formula C14H18F3O3P
InChI InChI=1S/C14H18F3O3P/c1-4-19-21(18,20-5-2)13(14(15,16)17)11(3)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3/b13-11+
InChIKey WBVJBHDMFJMFOZ-ACCUITESSA-N
Molecular Weight 322.264 g/mol
SMILES C(OP(\C(C(F)(F)F)=C/(c1ccccc1)C)(=O)OCC)C
SPLASH splash10-00di-0019000000-07943e9fb107043cae4e
Source of Spectrum KC-1990-696-4
Wiley ID 1321380