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

View entire compound with spectra: 2 NMR

N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-PROLINE-METHYLESTER
SpectraBase Compound ID GRH9U4HZDPt
InChI InChI=1S/2C10H18N3O4PS/c2*1-16-10(14)9(13-6-2-3-7-13)12-18(15,19)17-8-4-5-11/h2*9H,2-4,6-8H2,1H3,(H2,12,15,19)/p-2
InChIKey GHIFTONCWNIIDS-UHFFFAOYSA-L
Mol Weight 612.59 g/mol
Molecular Formula C20H34N6O8P2S2
Exact Mass 612.135478 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4KBikQDxSny
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-PROLINE-METHYLESTER
Compound Number 4I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H34N6O8P2S2
InChI InChI=1S/2C10H18N3O4PS/c2*1-16-10(14)9(13-6-2-3-7-13)12-18(15,19)17-8-4-5-11/h2*9H,2-4,6-8H2,1H3,(H2,12,15,19)/p-2
InChIKey GHIFTONCWNIIDS-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 612.593 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22238