| 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
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| SpectraBase Spectrum ID | 6mRTO3iYBex |
|---|---|
| Name | YXNQZEAUZRXOJM-HGICOLBSSA-N |
| CAS Registry Number | 137918-48-0 |
| Compound Number | 13 |
| Copyright | Copyright © 2016-2025 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 |