1H nuclear magnetic resonance spectroscopy (1H NMR)
URL: https://www.chemotion-repository.net/inchikey/SSVWEQXUTXDPTL-UHFFFAOYSA-N/CHMO0000593
Dataset description:
dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)\n\n
Chemical Info
| InChI | InChI=1S/C36H27N9O6/c1-49-34(46)28-31(43-19-25(37-40-43)22-13-7-4-8-14-22)29(35(47)50-2)33(45-21-27(39-42-45)24-17-11-6-12-18-24)30(36(48)51-3)32(28)44-20-26(38-41-44)23-15-9-5-10-16-23/h4-21H,1-3H3 |
|---|---|
| SMILES | COC(=O)c1c(n2nnc(c2)c2ccccc2)c(C(=O)OC)c(c(c1n1nnc(c1)c1ccccc1)C(=O)OC)n1nnc(c1)c1ccccc1 |
| InChI Key | SSVWEQXUTXDPTL-UHFFFAOYSA-N |
| Molecular Formula | C36H27N9O6 |
| Exact Mass | 681.656 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | September 8, 2024 |
| Metadata last updated | September 8, 2024 |
| Created | September 8, 2024 |
| Format | HTML |
| License | No License Provided |
| Id | 86076e8a-467b-4a6e-80d4-db4ccbe1eb01 |
| Package id | 10-14272-ssvweqxutxdptl-uhfffaoysa-n-chmo0000593 |
| Resource type | HTML |
| State | active |