1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/KEFPVMXSHBFAEK-ZTRVSJDYSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C48H36N6O4/c1-3-57-47(55)33-9-5-29(6-10-33)43-35-13-17-39(51-35)45(31-21-25-49-26-22-31)41-19-15-37(53-41)44(30-7-11-34(12-8-30)48(56)58-4-2)38-16-20-42(54-38)46(32-23-27-50-28-24-32)40-18-14-36(43)52-40/h5-28,51,54H,3-4H2,1-2H3/b43-35-,43-36-,44-37-,44-38-,45-39-,45-41-,46-40-,46-42- |
|---|---|
| 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)/c1ccncc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1ccncc1 |
| InChI Key | KEFPVMXSHBFAEK-ZTRVSJDYSA-N |
| Molecular Formula | C48H36N6O4 |
| Exact Mass | 760.837 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 | 099fbbc1-bb5a-4080-8743-408b4c99fcea |
| Package id | 10-14272-kefpvmxshbfaek-ztrvsjdysa-n-chmo0000593 |
| Resource type | HTML |
| State | active |