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N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-GLUTAMIC-ACID-DIMETHYLESTER
SpectraBase Compound ID 53FhVyLZ6LA
InChI InChI=1S/2C10H17N2O6PS/c2*1-16-9(13)5-4-8(10(14)17-2)12-19(15,20)18-7-3-6-11/h2*8H,3-5,7H2,1-2H3,(H2,12,15,20)/p-2
InChIKey PRPHTUXGMWHIGB-UHFFFAOYSA-L
Mol Weight 646.56 g/mol
Molecular Formula C20H32N4O12P2S2
Exact Mass 646.093339 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8z8hIKqTxLD
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-GLUTAMIC-ACID-DIMETHYLESTER
Compound Number 4F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H32N4O12P2S2
InChI InChI=1S/2C10H17N2O6PS/c2*1-16-9(13)5-4-8(10(14)17-2)12-19(15,20)18-7-3-6-11/h2*8H,3-5,7H2,1-2H3,(H2,12,15,20)/p-2
InChIKey PRPHTUXGMWHIGB-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 UWSI22235