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N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-ASPARTIC-ACID-DIMETHYLESTER
SpectraBase Compound ID GTPqmcpGecH
InChI InChI=1S/2C9H15N2O6PS/c2*1-15-8(12)6-7(9(13)16-2)11-18(14,19)17-5-3-4-10/h2*7H,3,5-6H2,1-2H3,(H2,11,14,19)/p-2
InChIKey SUCFOBJOLZYRMT-UHFFFAOYSA-L
Mol Weight 618.51 g/mol
Molecular Formula C18H28N4O12P2S2
Exact Mass 618.062039 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5Z5nxJnyG9Y
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-ASPARTIC-ACID-DIMETHYLESTER
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H28N4O12P2S2
InChI InChI=1S/2C9H15N2O6PS/c2*1-15-8(12)6-7(9(13)16-2)11-18(14,19)17-5-3-4-10/h2*7H,3,5-6H2,1-2H3,(H2,11,14,19)/p-2
InChIKey SUCFOBJOLZYRMT-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 618.507 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22234