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O-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-N-(TERT.-BUTOXYCARBONYL)-THREONINE-METHYLESTER
SpectraBase Compound ID Ckbf0UXXFqx
InChI InChI=1S/2C12H23N2O5PS/c2*1-9(19-20(16,21)18-8-6-7-13)10(11(15)17-5)14-12(2,3)4/h2*9-10,14H,6,8H2,1-5H3,(H,16,21)/p-2
InChIKey YRSJHTRWIUVRQT-UHFFFAOYSA-L
Mol Weight 674.7 g/mol
Molecular Formula C24H44N4O10P2S2
Exact Mass 674.19741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DGtOG0uzFAN
Name O-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-N-(TERT.-BUTOXYCARBONYL)-THREONINE-METHYLESTER
Compound Number 4K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H44N4O10P2S2
InChI InChI=1S/2C12H23N2O5PS/c2*1-9(19-20(16,21)18-8-6-7-13)10(11(15)17-5)14-12(2,3)4/h2*9-10,14H,6,8H2,1-5H3,(H,16,21)/p-2
InChIKey YRSJHTRWIUVRQT-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
Molecular Weight 674.702 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22240