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Diethyl alpha-methyl-alpha-cyano-benzylphosphonate
SpectraBase Compound ID B4orEw3XZO5
InChI InChI=1S/C13H18NO3P/c1-4-16-18(15,17-5-2)13(3,11-14)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKey XAHGYULORVVHDA-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 3Df9tkFCmtT
Name Diethyl alpha-methyl-alpha-cyano-benzylphosphonate
Alternate Name(s) Diethyl (1-cyano-1-phenylethyl)phosphonate
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Formula C13H18NO3P
InChI InChI=1S/C13H18NO3P/c1-4-16-18(15,17-5-2)13(3,11-14)12-9-7-6-8-10-12/h6-10H,4-5H2,1-3H3
InChIKey XAHGYULORVVHDA-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19830010112
Molecular Weight 267.265 g/mol
SMILES c1(ccccc1)C(C#N)(P(OCC)(OCC)=O)C
SPLASH splash10-05o0-2930000000-25534548589565c68964
Source of Spectrum SI-1-74-4a
Wiley ID 1813307