1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/RADSWVOTYLGRBW-QURYMOASSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C53H36N6.Ni/c1-4-14-34(15-5-1)49-41-24-26-43(56-41)50(35-16-6-2-7-17-35)45-28-30-47(58-45)53(38-21-11-10-20-37(38)52(39-22-12-32-54-39)40-23-13-33-55-40)48-31-29-46(59-48)51(36-18-8-3-9-19-36)44-27-25-42(49)57-44;/h1-33,52,54-55H;/q-2;+2/b49-41-,49-42-,50-43-,50-45-,51-44-,51-46-,53-47-,53-48-; |
|---|---|
| SMILES | c1ccc(cc1)/C/1=c/2\cc/c/3=C(/C4=N/C(=C(\c5n([Ni]n23)c(/C(=C/2\N=C1C=C2)/c1ccccc1)cc5)/c1ccccc1)/C=C4)\c1ccccc1C(c1ccc[nH]1)c1ccc[nH]1 |
| InChI Key | RADSWVOTYLGRBW-QURYMOASSA-N |
| Molecular Formula | C53H36N6Ni |
| Exact Mass | 815.587 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 7, 2024 |
| Metadata last updated | September 7, 2024 |
| Created | September 7, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 51025f53-d162-4e3b-bb2c-cf56f3b1de46 |
| Package id | 10-14272-radswvotylgrbw-qurymoassa-n-chmo0000593 |
| Resource type | HTML |
| State | active |