| SpectraBase Compound ID | 8X4T4d6xxUf |
|---|---|
| InChI | InChI=1S/C33H33N4O5.Ni/c1-17-11-21-12-26-20(4)24(16-38)31(35-26)14-28-19(3)23(8-10-33(40)42-6)30(37-28)15-29-22(7-9-32(39)41-5)18(2)27(36-29)13-25(17)34-21;/h11-16H,7-10H2,1-6H3,(H-3,34,35,36,37,38);/q-3;+6/p-1/b21-12-,25-13-,26-12-,27-13-,28-14-,29-15-,30-15-,31-14-; |
| InChIKey | OXMLYYKDDCUDSD-OKSDJKSTSA-M |
| Mol Weight | 623.3 g/mol |
| Molecular Formula | C33H32N4NiO5 |
| Exact Mass | 622.172612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jdcp6YwMsRz |
|---|---|
| Name | OXMLYYKDDCUDSD-OKSDJKSTSA-M |
| CAS Registry Number | 93862-51-2 |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H32N4NiO5 |
| InChI | InChI=1S/C33H33N4O5.Ni/c1-17-11-21-12-26-20(4)24(16-38)31(35-26)14-28-19(3)23(8-10-33(40)42-6)30(37-28)15-29-22(7-9-32(39)41-5)18(2)27(36-29)13-25(17)34-21;/h11-16H,7-10H2,1-6H3,(H-3,34,35,36,37,38);/q-3;+6/p-1/b21-12-,25-13-,26-12-,27-13-,28-14-,29-15-,30-15-,31-14-; |
| InChIKey | OXMLYYKDDCUDSD-OKSDJKSTSA-M |
| Literature Reference Author | A.BONDON,M.AUTRET,G.SIMONNEAUX |
| Literature Reference Citation | MAGN.RES.CHEM.,32,78(1994) |
| Literature Reference DOI | 10.1002/mrc.1260320203 |
| Molecular Weight | 623.331 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCP2276 |