13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/IHJZSEBPJFQTAS-DQZWSBCQSA-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/C25H30O7S/c1-4-33-25-23(30-16(2)26)22(28-14-17-8-6-5-7-9-17)21-20(31-25)15-29-24(32-21)18-10-12-19(27-3)13-11-18/h5-13,20-25H,4,14-15H2,1-3H3/t20-,21-,22+,23-,24?,25+/m1/s1 |
|---|---|
| SMILES | CCS[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1OC(=O)C)OCc1ccccc1)c1ccc(cc1)OC |
| InChI Key | IHJZSEBPJFQTAS-DQZWSBCQSA-N |
| Molecular Formula | C25H30O7S |
| Exact Mass | 474.566 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 | d6e505c4-d187-4e4d-b863-0f6d696b5fb9 |
| Package id | 10-14272-ihjzsebpjfqtas-dqzwsbcqsa-n-nmr-13c-cdcl3-100 |
| Resource type | HTML |
| State | active |