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PXQCDUYHNSUBAL-PLEMSKDWSA-N
SpectraBase Compound ID 8ExNx2HiwPP
InChI InChI=1S/C40H45N2O18PS/c1-22(43)51-20-29-33(55-24(3)45)35(56-25(4)46)32(54-23(2)44)28(57-29)17-19-52-61(5,62)53-21-30-34(59-38(48)26-12-8-6-9-13-26)36(60-39(49)27-14-10-7-11-15-27)37(58-30)42-18-16-31(47)41-40(42)50/h6-16,18,28-30,32-37H,17,19-21H2,1-5H3,(H,41,47,50)/t28-,29-,30-,32+,33-,34-,35-,36-,37-,61?/m0/s1
InChIKey PXQCDUYHNSUBAL-PLEMSKDWSA-N
Mol Weight 904.8 g/mol
Molecular Formula C40H45N2O18PS
Exact Mass 904.212571 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5g1zktfsJsX
Name PXQCDUYHNSUBAL-PLEMSKDWSA-N
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H45N2O18PS
InChI InChI=1S/C40H45N2O18PS/c1-22(43)51-20-29-33(55-24(3)45)35(56-25(4)46)32(54-23(2)44)28(57-29)17-19-52-61(5,62)53-21-30-34(59-38(48)26-12-8-6-9-13-26)36(60-39(49)27-14-10-7-11-15-27)37(58-30)42-18-16-31(47)41-40(42)50/h6-16,18,28-30,32-37H,17,19-21H2,1-5H3,(H,41,47,50)/t28-,29-,30-,32+,33-,34-,35-,36-,37-,61?/m0/s1
InChIKey PXQCDUYHNSUBAL-PLEMSKDWSA-N
Literature Reference Author H.J.G.BROXTERMAN,P.A.KOOREMAN,H.VANDENELST,H.C.P.F.ROELEN,G. A.VANDERMAREL,J.H.VA
Literature Reference Citation REC.TR.CH.P.-B.,109,583(1990)
Literature Reference DOI 10.1002/recl.19901091204
Solvent CDCl3
Source File Reference UWTS2012