| SpectraBase Compound ID | BhMgjitUB4L |
|---|---|
| InChI | InChI=1S/2C40H36F4N4O7.2Ni/c2*1-54-37-33(43)31(41)30(32(42)34(37)44)26(21-29(49)48-19-20-55-40(48)53)36(39(51)52)46-35(24-13-6-3-7-14-24)25-15-8-9-16-27(25)45-38(50)28-17-10-18-47(28)22-23-11-4-2-5-12-23;;/h2*2-9,11-16,26,28,36H,10,17-22H2,1H3,(H2,45,46,50,51,52);;/q;;2*+2/p-4/t2*26-,28-,36+;;/m00../s1 |
| InChIKey | GBUIJSDUQPKBMF-DFFQVUETSA-J |
| Mol Weight | 1634.8 g/mol |
| Molecular Formula | C80H68F8N8Ni2O14 |
| Exact Mass | 1632.343408 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3yFxA3eBl1b |
|---|---|
| Name | GBUIJSDUQPKBMF-DFFQVUETSA-J |
| Compound Number | 4T |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C80H68F8N8Ni2O14 |
| InChI | InChI=1S/2C40H36F4N4O7.2Ni/c2*1-54-37-33(43)31(41)30(32(42)34(37)44)26(21-29(49)48-19-20-55-40(48)53)36(39(51)52)46-35(24-13-6-3-7-14-24)25-15-8-9-16-27(25)45-38(50)28-17-10-18-47(28)22-23-11-4-2-5-12-23;;/h2*2-9,11-16,26,28,36H,10,17-22H2,1H3,(H2,45,46,50,51,52);;/q;;2*+2/p-4/t2*26-,28-,36+;;/m00../s1 |
| InChIKey | GBUIJSDUQPKBMF-DFFQVUETSA-J |
| 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 |
| Solvent | CDCl3 |
| Source File Reference | UWMS25889 |