1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/PGVKMMQGNCNTHA-FYDDRARISA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C54H42N4O4/c1-3-61-53(59)39-21-17-37(18-22-39)51-47-31-27-43(55-47)41(25-15-35-11-7-5-8-12-35)45-29-33-49(57-45)52(38-19-23-40(24-20-38)54(60)62-4-2)50-34-30-46(58-50)42(44-28-32-48(51)56-44)26-16-36-13-9-6-10-14-36/h5-34,55,58H,3-4H2,1-2H3/b25-15+,26-16+,43-41-,44-42-,45-41-,46-42-,51-47-,51-48-,52-49-,52-50- |
|---|---|
| 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=C/c1ccccc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C=C/c1ccccc1 |
| InChI Key | PGVKMMQGNCNTHA-FYDDRARISA-N |
| Molecular Formula | C54H42N4O4 |
| Exact Mass | 810.936 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 | 0ecfaba3-b493-4e0a-b67c-9a07ffd784b0 |
| Package id | 10-14272-pgvkmmqgncntha-fyddrarisa-n-chmo0000593 |
| Resource type | HTML |
| State | active |