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N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-ALANINE-METHYLESTER

View entire compound with spectra: 2 NMR

N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-ALANINE-METHYLESTER
SpectraBase Compound ID 1Js8TTcsJLr
InChI InChI=1S/2C7H13N2O4PS/c2*1-6(7(10)12-2)9-14(11,15)13-5-3-4-8/h2*6H,3,5H2,1-2H3,(H2,9,11,15)/p-2
InChIKey HFKZOKBUPLZRGT-UHFFFAOYSA-L
Mol Weight 502.43 g/mol
Molecular Formula C14H24N4O8P2S2
Exact Mass 502.05108 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aOrwnSBpaR
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-ALANINE-METHYLESTER
Compound Number 4A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H24N4O8P2S2
InChI InChI=1S/2C7H13N2O4PS/c2*1-6(7(10)12-2)9-14(11,15)13-5-3-4-8/h2*6H,3,5H2,1-2H3,(H2,9,11,15)/p-2
InChIKey HFKZOKBUPLZRGT-UHFFFAOYSA-L
Literature Reference Author J.BARANIAK,R.KACZMAREK,D.KORCZYNSKI,E.WASILEWSKA
Literature Reference Citation J.ORG.CHEM.,67,7267(2002)
Literature Reference DOI 10.1021/jo026027d
Solvent CDCl3:CD3OD
Source File Reference UWSI22230