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1-(p-Nitrobenzoyl)-1-(diethylphosphonyl)prop-1-ene
SpectraBase Compound ID 1DVxIkzvtoC
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/h4,7-10H,5-6H2,1-3H3/b13-4+
InChIKey QWGBAVRUHFTSJN-YIXHJXPBSA-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 FDrZouR1km6
Name 1-(p-Nitrobenzoyl)-1-(diethylphosphonyl)prop-1-ene
Alternate Name(s) diethyl (1E)-1-(4-nitrobenzoyl)-1-propenylphosphonate Diethyl 1-(p-nitrobenzoyl)propen-1-phosphonate
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/h4,7-10H,5-6H2,1-3H3/b13-4+
InChIKey QWGBAVRUHFTSJN-YIXHJXPBSA-N
Molecular Weight 327.273 g/mol
SMILES C(OP(\C(C(c1ccc(N(=O)=O)cc1)=O)=C/C)(=O)OCC)C
SPLASH splash10-00fr-0908000000-f70803882752b09e0707
Source of Spectrum OP-31-218-5
Wiley ID 1577772