| SpectraBase Compound ID | 8NsXRbAJw1V |
|---|---|
| InChI | InChI=1S/C42H53N7O12/c1-56-32-25-7-8-26(33(32)57-2)38(51)45-16-22-49-23-17-46-41(54)29-11-9-27(34(58-3)36(29)60-5)39(52)43-14-20-48(19-13-31(25)50)21-15-44-40(53)28-10-12-30(42(55)47-18-24-49)37(61-6)35(28)59-4/h7-12H,13-24H2,1-6H3,(H,43,52)(H,44,53)(H,45,51)(H,46,54)(H,47,55) |
| InChIKey | NUBZDONMGZKDKN-UHFFFAOYSA-N |
| Mol Weight | 847.9 g/mol |
| Molecular Formula | C42H53N7O12 |
| Exact Mass | 847.37522 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JFnZd4fE4TY |
|---|---|
| Name | Methyl-trencam |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C42H53N7O12 |
| InChI | InChI=1S/C42H53N7O12/c1-56-32-25-7-8-26(33(32)57-2)38(51)45-16-22-49-23-17-46-41(54)29-11-9-27(34(58-3)36(29)60-5)39(52)43-14-20-48(19-13-31(25)50)21-15-44-40(53)28-10-12-30(42(55)47-18-24-49)37(61-6)35(28)59-4/h7-12H,13-24H2,1-6H3,(H,43,52)(H,44,53)(H,45,51)(H,46,54)(H,47,55) |
| InChIKey | NUBZDONMGZKDKN-UHFFFAOYSA-N |
| Literature Reference | T.J. McMurry, S.J. Rodgers, K.N. Raymond, J. Am. Chem. Soc. 109, 3451 (1987). |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3 |