| SpectraBase Compound ID | 95w46l6OUX2 |
|---|---|
| InChI | InChI=1S/C60H78N12O4P6S2/c1-57(2,3)69-77-70(58(4,5)6)78(69)74-52-37-29-48(30-38-52)44-62-66(14)82(84,56-25-21-18-22-26-56)68(16)64-46-50-33-41-54(42-34-50)76-80-71(59(7,8)9)79(72(80)60(10,11)12)75-53-39-31-49(32-40-53)45-63-67(15)81(83,55-23-19-17-20-24-55)65(13)61-43-47-27-35-51(73-77)36-28-47/h17-46H,1-16H3/b61-43-,62-44-,63-45-,64-46- |
| InChIKey | NBBRSHZEBHONKN-KXXRLDSMSA-N |
| Mol Weight | 1281.3 g/mol |
| Molecular Formula | C60H78N12O4P6S2 |
| Exact Mass | 1280.413613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jj5A34Mgacv |
|---|---|
| Name | NBBRSHZEBHONKN-KXXRLDSMSA-N |
| CAS Registry Number | 137918-47-9 |
| Compound Number | 12 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C60H78N12O4P6S2 |
| InChI | InChI=1S/C60H78N12O4P6S2/c1-57(2,3)69-77-70(58(4,5)6)78(69)74-52-37-29-48(30-38-52)44-62-66(14)82(84,56-25-21-18-22-26-56)68(16)64-46-50-33-41-54(42-34-50)76-80-71(59(7,8)9)79(72(80)60(10,11)12)75-53-39-31-49(32-40-53)45-63-67(15)81(83,55-23-19-17-20-24-55)65(13)61-43-47-27-35-51(73-77)36-28-47/h17-46H,1-16H3/b61-43-,62-44-,63-45-,64-46- |
| InChIKey | NBBRSHZEBHONKN-KXXRLDSMSA-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 | 1281.320 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS4374 |