nuclear magnetic resonance spectroscopy (NMR)
URL: https://www.chemotion-repository.net/inchikey/DUEXJIZWUJECGU-LYAGHACYSA-N/CHMO0000591
Dataset description:
dataset for nuclear magnetic resonance spectroscopy (NMR)\n\n
Chemical Info
| InChI | InChI=1S/C54H40F2N4O4/c1-3-63-53(61)37-17-13-35(14-18-37)51-47-27-23-43(57-47)41(21-11-33-7-5-9-39(55)31-33)45-25-29-49(59-45)52(36-15-19-38(20-16-36)54(62)64-4-2)50-30-26-46(60-50)42(44-24-28-48(51)58-44)22-12-34-8-6-10-40(56)32-34/h5-32,57,60H,3-4H2,1-2H3/b21-11+,22-12+,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/c1cccc(c1)F)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/C=C/c1cccc(c1)F |
| InChI Key | DUEXJIZWUJECGU-LYAGHACYSA-N |
| Molecular Formula | C54H40F2N4O4 |
| Exact Mass | 846.917 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 | b88f1e67-ac23-423a-a101-87c163610b85 |
| Package id | 10-14272-duexjizwujecgu-lyaghacysa-n-chmo0000591 |
| Resource type | HTML |
| State | active |