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Diethyl alpha-cyano-p-methylbenzylphosphonate
SpectraBase Compound ID kn5JRQSaD0
InChI InChI=1S/C13H18NO3P/c1-4-16-18(15,17-5-2)13(10-14)12-8-6-11(3)7-9-12/h6-9,13H,4-5H2,1-3H3
InChIKey XWOXFGWGIOEIAL-UHFFFAOYSA-N
Mol Weight 267.26 g/mol
Molecular Formula C13H18NO3P
Exact Mass 267.10243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QF3LMYRNI
Name Diethyl 1-(p-tolyl)-1-cyanomethylphosphonate
Alternate Name(s) Diethyl cyano(4-methylphenyl)methylphosphonate 2-Diethoxyphosphoryl-2-(4-methylphenyl)acetonitrile 2-Diethoxyphosphoryl-2-(4-methylphenyl)ethanenitrile
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Formula C13H18NO3P
InChI InChI=1S/C13H18NO3P/c1-4-16-18(15,17-5-2)13(10-14)12-8-6-11(3)7-9-12/h6-9,13H,4-5H2,1-3H3
InChIKey XWOXFGWGIOEIAL-UHFFFAOYSA-N
Molecular Weight 267.265 g/mol
SMILES C(P(=O)(OCC)OCC)(C#N)c1ccc(cc1)C
SPLASH splash10-053r-0910000000-5628a025095b80d8985c
Source of Spectrum QB-18-997-6
Wiley ID 841899