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

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N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-PHENYLALANINE-METHYLESTER
SpectraBase Compound ID 4hI3dID1b91
InChI InChI=1S/2C13H17N2O4PS/c2*1-18-13(16)12(10-11-6-3-2-4-7-11)15-20(17,21)19-9-5-8-14/h2*2-4,6-7,12H,5,9-10H2,1H3,(H2,15,17,21)/p-2
InChIKey VTJROEYVOCKNKV-UHFFFAOYSA-L
Mol Weight 654.63 g/mol
Molecular Formula C26H32N4O8P2S2
Exact Mass 654.11368 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46bAyGpvLKe
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-PHENYLALANINE-METHYLESTER
Compound Number 4D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H32N4O8P2S2
InChI InChI=1S/2C13H17N2O4PS/c2*1-18-13(16)12(10-11-6-3-2-4-7-11)15-20(17,21)19-9-5-8-14/h2*2-4,6-7,12H,5,9-10H2,1H3,(H2,15,17,21)/p-2
InChIKey VTJROEYVOCKNKV-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 654.630 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22233