1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/UYKMRQXETKCUPT-CGBDAEPUSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C52H36N6O4/c1-3-61-51(59)37-17-13-35(14-18-37)49-43-25-21-39(55-43)47(33-9-5-31(29-53)6-10-33)41-23-27-45(57-41)50(36-15-19-38(20-16-36)52(60)62-4-2)46-28-24-42(58-46)48(40-22-26-44(49)56-40)34-11-7-32(30-54)8-12-34/h5-28,55,58H,3-4H2,1-2H3/b47-39-,47-41-,48-40-,48-42-,49-43-,49-44-,50-45-,50-46- |
|---|---|
| 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)/c1ccc(cc1)C#N)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1)C#N |
| InChI Key | UYKMRQXETKCUPT-CGBDAEPUSA-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 | 97d43969-cfea-44b0-ac69-8e4af0c66a35 |
| Package id | 10-14272-uykmrqxetkcupt-cgbdaepusa-n-chmo0000593 |
| Resource type | HTML |
| State | active |