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3-(p-Nitrobenzoyl)-3-(diethylphosphonyl)prop-1-ene
SpectraBase Compound ID EXQkSSVMqgw
InChI InChI=1S/C14H18NO6P/c1-4-13(22(19,20-5-2)21-6-3)14(16)11-7-9-12(10-8-11)15(17)18/h4,7-10,13H,1,5-6H2,2-3H3
InChIKey WIMZWKZXUIJPOP-UHFFFAOYSA-N
Mol Weight 327.27 g/mol
Molecular Formula C14H18NO6P
Exact Mass 327.087174 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID io646Jx44q
Name 3-(p-Nitrobenzoyl)-3-(diethylphosphonyl)prop-1-ene
Alternate Name(s) Diethyl .alpha.-vinyl-.beta.-oxo(p-nitrophenyl)ethylphosphonate diethyl 1-(4-nitrobenzoyl)-2-propenylphosphonate 2-diethoxyphosphoryl-1-(4-nitrophenyl)-3-buten-1-one
Comments Less than 3 mono-isotopic peaks
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Formula C14H18NO6P
InChI InChI=1S/C14H18NO6P/c1-4-13(22(19,20-5-2)21-6-3)14(16)11-7-9-12(10-8-11)15(17)18/h4,7-10,13H,1,5-6H2,2-3H3
InChIKey WIMZWKZXUIJPOP-UHFFFAOYSA-N
Molecular Weight 327.273 g/mol
SMILES C(P(=O)(OCC)OCC)(C(c1ccc(N(=O)=O)cc1)=O)C=C
SPLASH splash10-004i-0900000000-0788880ce9d50bb9db4b
Source of Spectrum OP-31-218-3
Wiley ID 1577781