13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/IJZVXCYUBMKLKT-ADAARDCZSA-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/C21H28O8S/c1-5-30-21-20(28-15(4)24)19(26-11-16-9-7-6-8-10-16)18(27-14(3)23)17(29-21)12-25-13(2)22/h6-10,17-21H,5,11-12H2,1-4H3/t17-,18-,19+,20-,21+/m1/s1 |
|---|---|
| SMILES | CCS[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=O)C)OCc1ccccc1)OC(=O)C |
| InChI Key | IJZVXCYUBMKLKT-ADAARDCZSA-N |
| Molecular Formula | C21H28O8S |
| Exact Mass | 440.507 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 | 3aa5651c-53e4-486e-897a-b8193650b0e3 |
| Package id | 10-14272-ijzvxcyubmklkt-adaardczsa-n-nmr-13c-cdcl3-100 |
| Resource type | HTML |
| State | active |