| SpectraBase Compound ID | JeRP9yzvhei |
|---|---|
| InChI | InChI=1S/C35H38N4O6.Ni/c1-2-25(22-30(40)39-20-21-45-35(39)44)32(34(42)43)37-31(26-14-7-4-8-15-26)27-16-9-10-17-28(27)36-33(41)29-18-11-19-38(29)23-24-12-5-3-6-13-24;/h3-10,12-17,25,29,32H,2,11,18-23H2,1H3,(H2,36,37,41,42,43);/q;+2/p-2/t25-,29+,32+;/m1./s1 |
| InChIKey | IWHNLBUNGBPJTA-PMKCTYCBSA-L |
| Mol Weight | 667.4 g/mol |
| Molecular Formula | C35H36N4NiO6 |
| Exact Mass | 666.198827 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3JESM4Wxfng |
|---|---|
| Name | IWHNLBUNGBPJTA-PMKCTYCBSA-L |
| Compound Number | 3B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H36N4NiO6 |
| InChI | InChI=1S/C35H38N4O6.Ni/c1-2-25(22-30(40)39-20-21-45-35(39)44)32(34(42)43)37-31(26-14-7-4-8-15-26)27-16-9-10-17-28(27)36-33(41)29-18-11-19-38(29)23-24-12-5-3-6-13-24;/h3-10,12-17,25,29,32H,2,11,18-23H2,1H3,(H2,36,37,41,42,43);/q;+2/p-2/t25-,29+,32+;/m1./s1 |
| InChIKey | IWHNLBUNGBPJTA-PMKCTYCBSA-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 | 667.384 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25854 |