13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/SJXPPFSITHCICG-OKKOYFSCSA-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/C25H30Cl3NO9/c1-4-12-35-23-20(29-24(33)25(26,27)28)22(38-19(32)11-10-15(2)30)21(36-16(3)31)18(37-23)14-34-13-17-8-6-5-7-9-17/h4-9,18,20-23H,1,10-14H2,2-3H3,(H,29,33)/t18-,20-,21-,22-,23-/m1/s1 |
|---|---|
| SMILES | C=CCO[C@@H]1O[C@H](COCc2ccccc2)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)CCC(=O)C)OC(=O)C |
| InChI Key | SJXPPFSITHCICG-OKKOYFSCSA-N |
| Molecular Formula | C25H30Cl3NO9 |
| Exact Mass | 594.866 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 | 307a4fbf-0bd3-446b-9ae5-81c087c05c48 |
| Package id | 10-14272-sjxppfsithcicg-okkoyfscsa-n-nmr-13c-cdcl3-100 |
| Resource type | HTML |
| State | active |