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O-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-N-(TERT.-BUTOXYCARBONYL)-SERINE-METHYLESTER
SpectraBase Compound ID 6pb41HPZxLx
InChI InChI=1S/2C11H21N2O5PS/c2*1-11(2,3)13-9(10(14)16-4)8-18-19(15,20)17-7-5-6-12/h2*9,13H,5,7-8H2,1-4H3,(H,15,20)/p-2
InChIKey FRXKUOMECDNWCY-UHFFFAOYSA-L
Mol Weight 646.65 g/mol
Molecular Formula C22H40N4O10P2S2
Exact Mass 646.16611 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9i5rF0Bipne
Name O-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-N-(TERT.-BUTOXYCARBONYL)-SERINE-METHYLESTER
Compound Number 4J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H40N4O10P2S2
InChI InChI=1S/2C11H21N2O5PS/c2*1-11(2,3)13-9(10(14)16-4)8-18-19(15,20)17-7-5-6-12/h2*9,13H,5,7-8H2,1-4H3,(H,15,20)/p-2
InChIKey FRXKUOMECDNWCY-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 UWSI22239