1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/WDLIHINPCOOLNN-HPQLBDKKSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C74H52N6O4/c1-3-83-73(81)49-25-21-45(22-26-49)69-57-37-41-61(75-57)71(47-29-33-51(34-30-47)79-65-17-9-5-13-53(65)54-14-6-10-18-66(54)79)63-43-39-59(77-63)70(46-23-27-50(28-24-46)74(82)84-4-2)60-40-44-64(78-60)72(62-42-38-58(69)76-62)48-31-35-52(36-32-48)80-67-19-11-7-15-55(67)56-16-8-12-20-68(56)80/h5-44,75,78H,3-4H2,1-2H3/b69-57-,69-58-,70-59-,70-60-,71-61-,71-63-,72-62-,72-64- |
|---|---|
| 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)n1c4ccccc4c4c1cccc4)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1)n1c2ccccc2c2c1cccc2 |
| InChI Key | WDLIHINPCOOLNN-HPQLBDKKSA-N |
| Molecular Formula | C74H52N6O4 |
| Exact Mass | 1089.242 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 | ccace4a8-7c48-4cf3-a163-a8285c25693b |
| Package id | 10-14272-wdlihinpcoolnn-hpqlbdkksa-n-chmo0000593 |
| Resource type | HTML |
| State | active |