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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 8mdldusknkC
Name Diethyl alpha-cyano-p-methylbenzylphosphonate
Alternate Name(s) Diethyl (cyano(p-tolyl)methyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
Literature Reference DOI 10.1002/cjoc.19830010112
Molecular Weight 267.265 g/mol
SMILES c1(ccc(cc1)C)C(C#N)P(OCC)(OCC)=O
SPLASH splash10-053r-2910000000-716fbc090216d901e028
Source of Spectrum SI-1-73-1b
Wiley ID 1813302