| SpectraBase Compound ID | I12Cp3nN3nn |
|---|---|
| InChI | InChI=1S/C72H82ClN4O24P/c1-47(78)86-44-61-65(90-41-55-30-17-9-18-31-55)67(96-49(3)80)63(76-77-74)70(99-61)91-43-59(87-38-52-24-11-6-12-25-52)64(89-40-54-28-15-8-16-29-54)60(88-39-53-26-13-7-14-27-53)45-93-102(84,101-58-35-22-21-34-57(58)73)94-46-62-66(95-48(2)79)68(97-50(4)81)69(98-51(5)82)71(100-62)85-37-23-36-75-72(83)92-42-56-32-19-10-20-33-56/h6-22,24-35,59-71H,23,36-46H2,1-5H3,(H,75,83)/t59?,60?,61-,62-,63-,64?,65+,66-,67-,68+,69-,70-,71-,102?/m0/s1 |
| InChIKey | HZJFITKQAFDOCW-CADXCCAKSA-N |
| Mol Weight | 1453.9 g/mol |
| Molecular Formula | C72H82ClN4O24P |
| Exact Mass | 1452.474514 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1AIpJ7a6Hvm |
|---|---|
| Name | HZJFITKQAFDOCW-CADXCCAKSA-N |
| Compound Number | 12A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C72H82ClN4O24P |
| InChI | InChI=1S/C72H82ClN4O24P/c1-47(78)86-44-61-65(90-41-55-30-17-9-18-31-55)67(96-49(3)80)63(76-77-74)70(99-61)91-43-59(87-38-52-24-11-6-12-25-52)64(89-40-54-28-15-8-16-29-54)60(88-39-53-26-13-7-14-27-53)45-93-102(84,101-58-35-22-21-34-57(58)73)94-46-62-66(95-48(2)79)68(97-50(4)81)69(98-51(5)82)71(100-62)85-37-23-36-75-72(83)92-42-56-32-19-10-20-33-56/h6-22,24-35,59-71H,23,36-46H2,1-5H3,(H,75,83)/t59?,60?,61-,62-,63-,64?,65+,66-,67-,68+,69-,70-,71-,102?/m0/s1 |
| InChIKey | HZJFITKQAFDOCW-CADXCCAKSA-N |
| Literature Reference Author | J.P.G.HERMANS,C.E.DREEF,P.HOOGERHOUT,G.A.VANDERMAREL,J.H.VAN BOOM |
| Literature Reference Citation | REC.TR.CH.P.-B.,107,600(1988) |
| Literature Reference DOI | 10.1002/recl.19881071006 |
| Molecular Weight | 1453.882 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWED3841 |