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

View entire compound with spectra: 2 NMR

N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-VALINE-METHYLESTER
SpectraBase Compound ID 6rHD7P7EJU2
InChI InChI=1S/2C9H17N2O4PS/c2*1-7(2)8(9(12)14-3)11-16(13,17)15-6-4-5-10/h2*7-8H,4,6H2,1-3H3,(H2,11,13,17)/p-2
InChIKey YITNFEPOBASRSH-UHFFFAOYSA-L
Mol Weight 558.54 g/mol
Molecular Formula C18H32N4O8P2S2
Exact Mass 558.11368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6JJJL6ommc6
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-VALINE-METHYLESTER
Compound Number 4B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32N4O8P2S2
InChI InChI=1S/2C9H17N2O4PS/c2*1-7(2)8(9(12)14-3)11-16(13,17)15-6-4-5-10/h2*7-8H,4,6H2,1-3H3,(H2,11,13,17)/p-2
InChIKey YITNFEPOBASRSH-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 558.542 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22231