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STHIRTOLCKFVRS-YOPOYBLNSA-N
SpectraBase Compound ID BOjjikqGqw3
InChI InChI=1S/C59H61Cl2N5O17P/c1-5-66(6-2,7-3)83-84(73)82-50-45(78-54(65-33-31-48(68)63-58(65)72)52(50)81-56(70)42-23-15-17-25-44(42)61)34-75-36-76-49-46(79-53(64-32-30-47(67)62-57(64)71)51(49)80-55(69)41-22-14-16-24-43(41)60)35-77-59(37-18-10-8-11-19-37,38-20-12-9-13-21-38)39-26-28-40(74-4)29-27-39/h8-33,45-46,49-54,84H,5-7,34-36H2,1-4H3,(H,62,67,71)(H,63,68,72)/t45-,46-,49-,50-,51-,52-,53-,54-/m0/s1
InChIKey STHIRTOLCKFVRS-YOPOYBLNSA-N
Mol Weight 1214.0 g/mol
Molecular Formula C59H61Cl2N5O17P
Exact Mass 1212.317713 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ZTntHaL8X9
Name STHIRTOLCKFVRS-YOPOYBLNSA-N
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C59H60Cl2N5O17P
InChI InChI=1S/C59H61Cl2N5O17P/c1-5-66(6-2,7-3)83-84(73)82-50-45(78-54(65-33-31-48(68)63-58(65)72)52(50)81-56(70)42-23-15-17-25-44(42)61)34-75-36-76-49-46(79-53(64-32-30-47(67)62-57(64)71)51(49)80-55(69)41-22-14-16-24-43(41)60)35-77-59(37-18-10-8-11-19-37,38-20-12-9-13-21-38)39-26-28-40(74-4)29-27-39/h8-33,45-46,49-54,84H,5-7,34-36H2,1-4H3,(H,62,67,71)(H,63,68,72)/t45-,46-,49-,50-,51-,52-,53-,54-/m0/s1
InChIKey STHIRTOLCKFVRS-YOPOYBLNSA-N
Literature Reference Author E.ROZNERS,R.STROEMBERG
Literature Reference Citation J.ORG.CHEM.,62,1846(1997)
Literature Reference DOI 10.1021/jo962080o
Molecular Weight 1213.028 g/mol
Solvent CDCl3
Source File Reference UWCS23596