John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=IvjhLvkTzYm SpectraBase Spectrum ID=2VvRtMcvBpO

(accessed ).
(2R,5S,1'R)-3,6-DIETHOXY-2-[2-(DIETHOXYPHOSPHORYL)-1-(PYRIDIN-3-YL)-ETHYL]-2,5-DIHYDRO-5-ISOPROPYLPYRAZINE
SpectraBase Compound ID IvjhLvkTzYm
InChI InChI=1S/C22H36N3O5P/c1-7-27-21-19(16(5)6)24-22(28-8-2)20(25-21)18(17-12-11-13-23-14-17)15-31(26,29-9-3)30-10-4/h11-14,16,18-20H,7-10,15H2,1-6H3/t18-,19-,20+/m0/s1
InChIKey OLVHFTRRXPXEFA-SLFFLAALSA-N
Mol Weight 453.5 g/mol
Molecular Formula C22H36N3O5P
Exact Mass 453.23926 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VvRtMcvBpO
Name (2R,5S,1'R)-3,6-DIETHOXY-2-[2-(DIETHOXYPHOSPHORYL)-1-(PYRIDIN-3-YL)-ETHYL]-2,5-DIHYDRO-5-ISOPROPYLPYRAZINE
Compound Number 17AIA
Copyright Copyright © 2016-2021 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H36N3O5P
InChI InChI=1S/C22H36N3O5P/c1-7-27-21-19(16(5)6)24-22(28-8-2)20(25-21)18(17-12-11-13-23-14-17)15-31(26,29-9-3)30-10-4/h11-14,16,18-20H,7-10,15H2,1-6H3/t18-,19-,20+/m0/s1
InChIKey OLVHFTRRXPXEFA-SLFFLAALSA-N
Literature Reference Author M.RUIZ,M.C.FERNANDEZ,A.DIAZ,J.M.QUINTELA,V.OJEA
Literature Reference Citation J.ORG.CHEM.,68,7634(2003)
Literature Reference DOI 10.1021/jo034707q
Solvent CDCl3
Source File Reference UWSI23124
SpectraBase Batch ID 8rI3jGQsuSo