1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/CMTSBEAOTMVZIO-KZHXVFCISA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C58H42N4O6/c1-5-67-57(65)43-21-17-41(18-22-43)55-51-31-27-47(59-51)45(25-11-37-7-13-39(14-8-37)35(3)63)49-29-33-53(61-49)56(42-19-23-44(24-20-42)58(66)68-6-2)54-34-30-50(62-54)46(48-28-32-52(55)60-48)26-12-38-9-15-40(16-10-38)36(4)64/h7-10,13-24,27-34,59,62H,5-6H2,1-4H3/b47-45-,48-46-,49-45-,50-46-,55-51-,55-52-,56-53-,56-54- |
|---|---|
| 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(=O)C)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C#Cc1ccc(cc1)C(=O)C |
| InChI Key | CMTSBEAOTMVZIO-KZHXVFCISA-N |
| Molecular Formula | C58H42N4O6 |
| Exact Mass | 890.977 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 | eaa8b1ca-d148-4431-8b3c-8c1b0882b2c3 |
| Package id | 10-14272-cmtsbeaotmvzio-kzhxvfcisa-n-chmo0000593 |
| Resource type | HTML |
| State | active |