13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/SMZPBAWVGNNTTI-DYTLHSPYSA-N/NMR/13C/CDCl3/100
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/C23H26Cl3NO8/c1-3-11-31-21-17(27-22(30)23(24,25)26)19(34-16(29)10-9-13(2)28)18-15(33-21)12-32-20(35-18)14-7-5-4-6-8-14/h3-8,15,17-21H,1,9-12H2,2H3,(H,27,30)/t15-,17-,18-,19-,20?,21-/m1/s1 |
|---|---|
| SMILES | C=CCO[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)C)c1ccccc1 |
| InChI Key | SMZPBAWVGNNTTI-DYTLHSPYSA-N |
| Molecular Formula | C23H26Cl3NO8 |
| Exact Mass | 550.813 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 | 8163d92d-e60c-435c-8297-c29385dbbf55 |
| Package id | 10-14272-smzpbawvgnntti-dytlhspysa-n-nmr-13c-cdcl3-100 |
| Resource type | HTML |
| State | active |