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ISOMER_1
SpectraBase Compound ID CNC4dzEJatH
InChI InChI=1S/C29H45N2O12P/c1-29(2,3)43-28(36)31-22(25(33)39-5)15-11-14-21(24(32)38-4)19-44(37,41-7)17-16-23(26(34)40-6)30-27(35)42-18-20-12-9-8-10-13-20/h8-10,12-13,21-23H,11,14-19H2,1-7H3,(H,30,35)(H,31,36)/t21?,22-,23-,44?/m1/s1
InChIKey AXIPQUQRKRYMSH-KINTUGQGSA-N
Mol Weight 644.7 g/mol
Molecular Formula C29H45N2O12P
Exact Mass 644.271012 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Lt68O7Oh9VO
Name ISOMER_2
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H45N2O12P
InChI InChI=1S/C29H45N2O12P/c1-29(2,3)43-28(36)31-22(25(33)39-5)15-11-14-21(24(32)38-4)19-44(37,41-7)17-16-23(26(34)40-6)30-27(35)42-18-20-12-9-8-10-13-20/h8-10,12-13,21-23H,11,14-19H2,1-7H3,(H,30,35)(H,31,36)/t21?,22-,23-,44?/m1/s1
InChIKey AXIPQUQRKRYMSH-KINTUGQGSA-N
Literature Reference Author B.ZENG,K.K.WONG,D.L.POMPLIANO,S.REDDY,M.E.TANNER
Literature Reference Citation J.ORG.CHEM.,63,10081(1998)
Literature Reference DOI 10.1021/jo981895p
Solvent CDCl3
Source File Reference UWMZ26096