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N-([2-Cyano-ethyl]-methyl-phosphinothioyl)-L-phenylalanine methyl ester

View entire compound with spectra: 4 NMR

N-([2-Cyano-ethyl]-methyl-phosphinothioyl)-L-phenylalanine methyl ester
SpectraBase Compound ID 7jFSYpROlwF
InChI InChI=1S/C14H19N2O3PS/c1-18-14(17)13(11-12-7-4-3-5-8-12)16-20(2,21)19-10-6-9-15/h3-5,7-8,13H,6,10-11H2,1-2H3,(H,16,21)
InChIKey LAEWNRMETCTAKV-UHFFFAOYSA-N
Mol Weight 326.35 g/mol
Molecular Formula C14H19N2O3PS
Exact Mass 326.085401 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID uWzAVy7SnY
Name N-([2-Cyano-ethyl]-methyl-phosphinothioyl)-L-phenylalanine methyl ester
CAS Registry Number 80556-19-0
Comments isomer 2
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Formula C14H19N2O3PS
InChI InChI=1S/C14H19N2O3PS/c1-18-14(17)13(11-12-7-4-3-5-8-12)16-20(2,21)19-10-6-9-15/h3-5,7-8,13H,6,10-11H2,1-2H3,(H,16,21)
InChIKey LAEWNRMETCTAKV-UHFFFAOYSA-N
Literature Reference N.E. Jacobsen, P.A. Bartlett, J. Am. Chem. Soc. 105, 1619 (1983).
NMR Standard CDCl3
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3