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YXNQZEAUZRXOJM-HGICOLBSSA-N
SpectraBase Compound ID AKzf8SPKFdu
InChI InChI=1S/C60H78N12O6P6/c1-57(2,3)69-79-70(58(4,5)6)80(69)76-52-37-29-48(30-38-52)44-62-66(14)84(74,56-25-21-18-22-26-56)68(16)64-46-50-33-41-54(42-34-50)78-82-71(59(7,8)9)81(72(82)60(10,11)12)77-53-39-31-49(32-40-53)45-63-67(15)83(73,55-23-19-17-20-24-55)65(13)61-43-47-27-35-51(75-79)36-28-47/h17-46H,1-16H3/b61-43+,62-44+,63-45+,64-46+
InChIKey YXNQZEAUZRXOJM-HGICOLBSSA-N
Mol Weight 1249.2 g/mol
Molecular Formula C60H78N12O6P6
Exact Mass 1248.4593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mRTO3iYBex
Name YXNQZEAUZRXOJM-HGICOLBSSA-N
CAS Registry Number 137918-48-0
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C60H78N12O6P6
InChI InChI=1S/C60H78N12O6P6/c1-57(2,3)69-79-70(58(4,5)6)80(69)76-52-37-29-48(30-38-52)44-62-66(14)84(74,56-25-21-18-22-26-56)68(16)64-46-50-33-41-54(42-34-50)78-82-71(59(7,8)9)81(72(82)60(10,11)12)77-53-39-31-49(32-40-53)45-63-67(15)83(73,55-23-19-17-20-24-55)65(13)61-43-47-27-35-51(75-79)36-28-47/h17-46H,1-16H3/b61-43+,62-44+,63-45+,64-46+
InChIKey YXNQZEAUZRXOJM-HGICOLBSSA-N
Literature Reference Author F.GONCE,A.M.CAMINADE,F.BOUTONNET,J.P.MAJORAL
Literature Reference Citation J.ORG.CHEM.,57,970(1992)
Literature Reference DOI 10.1021/jo00029a034
Molecular Weight 1249.199 g/mol
Solvent CDCl3
Source File Reference UWCS4375