13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/FDPAOFABTKSKOB-LVYLMHPTSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C52H36N6O4/c1-3-61-51(59)37-11-7-35(8-12-37)49-45-21-17-41(55-45)39(15-5-33-25-29-53-30-26-33)43-19-23-47(57-43)50(36-9-13-38(14-10-36)52(60)62-4-2)48-24-20-44(58-48)40(42-18-22-46(49)56-42)16-6-34-27-31-54-32-28-34/h7-14,17-32,55,58H,3-4H2,1-2H3/b41-39-,42-40-,43-39-,44-40-,49-45-,49-46-,50-47-,50-48- |
|---|---|
| SMILES | CCOC(=O)c1ccc(cc1)/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/C#Cc1ccncc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccncc1 |
| InChI Key | FDPAOFABTKSKOB-LVYLMHPTSA-N |
| Molecular Formula | C52H36N6O4 |
| Exact Mass | 808.880 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 | 30a7de2e-c3ff-4563-9e31-caa7b6b52bd7 |
| Package id | 10-14272-fdpaofabtkskob-lvylmhptsa-n-chmo0000595 |
| Resource type | HTML |
| State | active |