1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/QEQHSJUIDFMSHK-LVYLMHPTSA-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)35-15-11-33(12-16-35)49-45-27-23-41(55-45)39(21-19-37-9-5-7-31-53-37)43-25-29-47(57-43)50(34-13-17-36(18-14-34)52(60)62-4-2)48-30-26-44(58-48)40(42-24-28-46(49)56-42)22-20-38-10-6-8-32-54-38/h5-18,23-32,55,58H,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#Cc1ccccn1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccccn1 |
| InChI Key | QEQHSJUIDFMSHK-LVYLMHPTSA-N |
| Molecular Formula | C52H36N6O4 |
| Exact Mass | 808.880 g/mol |
There are no views created for this resource yet.
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 | adb5f7fc-9490-48be-9f92-040323add79a |
| Package id | 10-14272-qeqhsjuidfmshk-lvylmhptsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |