1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/IXMWRMWFCFDTKE-HIXPDHBDSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C45H30N4O/c50-28-32-18-10-11-19-33(32)45-40-26-24-38(48-40)43(30-14-6-2-7-15-30)36-22-20-34(46-36)42(29-12-4-1-5-13-29)35-21-23-37(47-35)44(31-16-8-3-9-17-31)39-25-27-41(45)49-39/h1-28,46,49H/b42-34-,42-35-,43-36-,43-38-,44-37-,44-39-,45-40-,45-41- |
|---|---|
| SMILES | O=Cc1ccccc1/C/1=C/2\C=CC(=N2)/C(=c\2/cc/c(=C(/C3=N/C(=C(\c4[nH]c1cc4)/c1ccccc1)/C=C3)\c1ccccc1)/[nH]2)/c1ccccc1 |
| InChI Key | IXMWRMWFCFDTKE-HIXPDHBDSA-N |
| Molecular Formula | C45H30N4O |
| Exact Mass | 642.746 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 | 11f813b4-0dbc-4f75-a331-cdccd9496782 |
| Package id | 10-14272-ixmwrmwfcfdtke-hixpdhbdsa-n-chmo0000593 |
| Resource type | HTML |
| State | active |