1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/QFYSFCFTSCMLOG-SZXTZKNNSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C56H36N6O4/c1-3-65-55(63)41-19-15-39(16-20-41)53-49-29-25-45(59-49)43(23-13-35-5-9-37(33-57)10-6-35)47-27-31-51(61-47)54(40-17-21-42(22-18-40)56(64)66-4-2)52-32-28-48(62-52)44(46-26-30-50(53)60-46)24-14-36-7-11-38(34-58)12-8-36/h5-12,15-22,25-32,59,62H,3-4H2,1-2H3/b45-43-,46-44-,47-43-,48-44-,53-49-,53-50-,54-51-,54-52- |
|---|---|
| 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#Cc1ccc(cc1)C#N)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccc(cc1)C#N |
| InChI Key | QFYSFCFTSCMLOG-SZXTZKNNSA-N |
| Molecular Formula | C56H36N6O4 |
| Exact Mass | 856.923 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 | 6824d9fe-1bcb-4d7d-8c54-5e2e4b17743f |
| Package id | 10-14272-qfysfcftscmlog-szxtzknnsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |