1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/WQBRWQVOHSENAT-YTJYWMACSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C54H46N4O8/c1-7-65-53(59)33-13-9-31(10-14-33)49-39-21-25-43(55-39)51(37-19-17-35(61-3)29-47(37)63-5)45-27-23-41(57-45)50(32-11-15-34(16-12-32)54(60)66-8-2)42-24-28-46(58-42)52(44-26-22-40(49)56-44)38-20-18-36(62-4)30-48(38)64-6/h9-30,55,58H,7-8H2,1-6H3/b49-39-,49-40-,50-41-,50-42-,51-43-,51-45-,52-44-,52-46- |
|---|---|
| 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(cc1OC)OC)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccc(cc1OC)OC |
| InChI Key | WQBRWQVOHSENAT-YTJYWMACSA-N |
| Molecular Formula | C54H46N4O8 |
| Exact Mass | 878.965 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 | 5c1fd84a-b851-48e9-87db-3b3c104b499f |
| Package id | 10-14272-wqbrwqvohsenat-ytjywmacsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |