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TERT.-BUTYL-3-METHYL-4-[[(OCTYLOXY)-(PHENYL)-PHOSPHONOTHIOYL]-METHYL]-1-PYRROLIDINECARBOXYLATE;MAJOR-6-ENDO-PRODUCT
SpectraBase Compound ID AZmbf5g26PB
InChI InChI=1S/C25H42NO3PS/c1-6-7-8-9-10-14-17-28-30(31,23-15-12-11-13-16-23)20-22-19-26(18-21(22)2)24(27)29-25(3,4)5/h11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3
InChIKey CMEBTDXEQMPQSQ-UHFFFAOYSA-N
Mol Weight 467.6 g/mol
Molecular Formula C25H42NO3PS
Exact Mass 467.262302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FiiRPriU8oX
Name TERT.-BUTYL-3-METHYL-4-[[(OCTYLOXY)-(PHENYL)-PHOSPHONOTHIOYL]-METHYL]-1-PYRROLIDINECARBOXYLATE;MAJOR-6-ENDO-PRODUCT
Compound Number 2 3
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H42NO3PS
InChI InChI=1S/C25H42NO3PS/c1-6-7-8-9-10-14-17-28-30(31,23-15-12-11-13-16-23)20-22-19-26(18-21(22)2)24(27)29-25(3,4)5/h11-13,15-16,21-22H,6-10,14,17-20H2,1-5H3
InChIKey CMEBTDXEQMPQSQ-UHFFFAOYSA-N
Literature Reference Author C.M.JESSOP,A.F.PARSONS,A.ROUTLEDGE,D.J.IRVINE
Literature Reference Citation EUR.J.ORG.CHEM.,1547(2006)
Molecular Weight 467.647 g/mol
Sample ID 32063
Solvent CDCl3