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Diethyl alpha-cyanobenzylphosphonate
SpectraBase Compound ID 1coiw4ubVgS
InChI InChI=1S/C12H16NO3P/c1-3-15-17(14,16-4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3
InChIKey OOAAVAAUXUISIN-UHFFFAOYSA-N
Mol Weight 253.24 g/mol
Molecular Formula C12H16NO3P
Exact Mass 253.08678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LN3NYjbEui
Name Diethyl alpha-cyanobenzylphosphonate
Alternate Name(s) Diethyl (cyano(phenyl)methyl)phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16NO3P
InChI InChI=1S/C12H16NO3P/c1-3-15-17(14,16-4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4H2,1-2H3
InChIKey OOAAVAAUXUISIN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.19830010112
Molecular Weight 253.238 g/mol
SMILES c1(ccccc1)C(C#N)P(OCC)(OCC)=O
SPLASH splash10-0ldi-2950000000-8a49b839bef54a23cbae
Source of Spectrum SI-1-73-1a
Wiley ID 1813301