1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/MCMNQFPXUXKKKX-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)31-13-9-29(10-14-31)43-35-17-21-39(51-35)45(33-7-5-25-49-27-33)41-23-19-37(53-41)44(30-11-15-32(16-12-30)48(56)58-4-2)38-20-24-42(54-38)46(34-8-6-26-50-28-34)40-22-18-36(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)/c1cccnc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1cccnc1 |
| InChI Key | MCMNQFPXUXKKKX-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 | b0df9408-b6ff-49ac-b698-dc3b50ee4f34 |
| Package id | 10-14272-mcmnqfpxuxkkkx-ztrvsjdysa-n-chmo0000593 |
| Resource type | HTML |
| State | active |