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

View entire compound with spectra: 2 NMR

N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-METHIONINE-METHYLESTER
SpectraBase Compound ID H1IBzwkAVnO
InChI InChI=1S/2C9H17N2O4PS2/c2*1-14-9(12)8(4-7-18-2)11-16(13,17)15-6-3-5-10/h2*8H,3-4,6-7H2,1-2H3,(H2,11,13,17)/p-2
InChIKey GTCUHPPIHIZNKF-UHFFFAOYSA-L
Mol Weight 622.66 g/mol
Molecular Formula C18H32N4O8P2S4
Exact Mass 622.057823 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2RL3NYfstEN
Name N-[O-(2-CYANOETHYL)-PHOSPHOROTHIOYL]-METHIONINE-METHYLESTER
Compound Number 4G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32N4O8P2S4
InChI InChI=1S/2C9H17N2O4PS2/c2*1-14-9(12)8(4-7-18-2)11-16(13,17)15-6-3-5-10/h2*8H,3-4,6-7H2,1-2H3,(H2,11,13,17)/p-2
InChIKey GTCUHPPIHIZNKF-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 622.662 g/mol
Solvent CDCl3:CD3OD
Source File Reference UWSI22236