| SpectraBase Compound ID | EntfyamjqBx |
|---|---|
| InChI | InChI=1S/C50H49N5O8S.Ni/c1-32-27-33(2)47(34(3)28-32)64(61,62)55-31-40(37-19-11-13-22-42(37)55)39(29-44(56)54-25-26-63-50(54)60)46(49(58)59)52-45(36-17-8-5-9-18-36)38-20-10-12-21-41(38)51-48(57)43-23-14-24-53(43)30-35-15-6-4-7-16-35;/h4-13,15-22,27-28,31,39,43,46H,14,23-26,29-30H2,1-3H3,(H2,51,52,57,58,59);/q;+2/p-2/t39-,43-,46+;/m0./s1 |
| InChIKey | LLAPPELYVGKLCT-LJJGQVSLSA-L |
| Mol Weight | 936.7 g/mol |
| Molecular Formula | C50H47N5NiO8S |
| Exact Mass | 935.249877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EJ5j60jXIc9 |
|---|---|
| Name | LLAPPELYVGKLCT-LJJGQVSLSA-L |
| Compound Number | 4O |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H47N5NiO8S |
| InChI | InChI=1S/C50H49N5O8S.Ni/c1-32-27-33(2)47(34(3)28-32)64(61,62)55-31-40(37-19-11-13-22-42(37)55)39(29-44(56)54-25-26-63-50(54)60)46(49(58)59)52-45(36-17-8-5-9-18-36)38-20-10-12-21-41(38)51-48(57)43-23-14-24-53(43)30-35-15-6-4-7-16-35;/h4-13,15-22,27-28,31,39,43,46H,14,23-26,29-30H2,1-3H3,(H2,51,52,57,58,59);/q;+2/p-2/t39-,43-,46+;/m0./s1 |
| InChIKey | LLAPPELYVGKLCT-LJJGQVSLSA-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 | 936.702 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS25879 |