| SpectraBase Compound ID | CjqQIU7Hc77 |
|---|---|
| InChI | InChI=1S/C34H36N4O6.Ni/c1-23(21-29(39)38-19-20-44-34(38)43)30(33(41)42)36-31(25-13-6-3-7-14-25)26-15-8-9-16-27(26)35-32(40)28-17-10-18-37(28)22-24-11-4-2-5-12-24;/h2-9,11-16,23,28,30H,10,17-22H2,1H3,(H2,35,36,40,41,42);/q;+2/p-2/t23-,28-,30+;/m0./s1 |
| InChIKey | MVILWWSYILCPTK-ODEQPZSMSA-L |
| Mol Weight | 653.4 g/mol |
| Molecular Formula | C34H34N4NiO6 |
| Exact Mass | 652.183177 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zMsOisLJOj |
|---|---|
| Name | MVILWWSYILCPTK-ODEQPZSMSA-L |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H34N4NiO6 |
| InChI | InChI=1S/C34H36N4O6.Ni/c1-23(21-29(39)38-19-20-44-34(38)43)30(33(41)42)36-31(25-13-6-3-7-14-25)26-15-8-9-16-27(26)35-32(40)28-17-10-18-37(28)22-24-11-4-2-5-12-24;/h2-9,11-16,23,28,30H,10,17-22H2,1H3,(H2,35,36,40,41,42);/q;+2/p-2/t23-,28-,30+;/m0./s1 |
| InChIKey | MVILWWSYILCPTK-ODEQPZSMSA-L |
| Literature Reference Author | C.CAI,V.A.SOLOSHONOK,V.J.HRUBY |
| Literature Reference Citation | J.ORG.CHEM.,66,1339(2001) |
| Literature Reference DOI | 10.1021/jo0014865 |
| Molecular Weight | 653.357 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25853 |