13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/KEYOUJVFUWVTHK-VRDUDMDPSA-N/CHMO0000595
Dataset description:
dataset for 13C nuclear magnetic resonance spectroscopy (13C NMR)\n\n
Source: 13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
| InChI | InChI=1S/C46H34N4O4S2/c1-3-53-45(51)29-9-5-27(6-10-29)41-33-13-17-37(47-33)43(31-21-23-55-25-31)39-19-15-35(49-39)42(28-7-11-30(12-8-28)46(52)54-4-2)36-16-20-40(50-36)44(32-22-24-56-26-32)38-18-14-34(41)48-38/h5-26,47,50H,3-4H2,1-2H3/b41-33-,41-34-,42-35-,42-36-,43-37-,43-39-,44-38-,44-40- |
|---|---|
| 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)/c1cscc1)/C=C3)\c1ccc(cc1)C(=O)OCC)/[nH]2)/c1cscc1 |
| InChI Key | KEYOUJVFUWVTHK-VRDUDMDPSA-N |
| Molecular Formula | C46H34N4O4S2 |
| Exact Mass | 770.917 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 | 56bacdce-c77c-455c-864b-db90f9f4730d |
| Package id | 10-14272-keyoujvfuwvthk-vrdudmdpsa-n-chmo0000595 |
| Resource type | HTML |
| State | active |