13C nuclear magnetic resonance spectroscopy (13C NMR)
URL: https://www.chemotion-repository.net/inchikey/XFNLWZCTEDTRGB-KJWHEZOQSA-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/C17H22Cl3NO9/c1-5-6-26-15-12(21-16(25)17(18,19)20)14(29-10(4)24)13(28-9(3)23)11(30-15)7-27-8(2)22/h5,11-15H,1,6-7H2,2-4H3,(H,21,25)/t11-,12-,13-,14-,15-/m1/s1 |
|---|---|
| SMILES | C=CCO[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C(Cl)(Cl)Cl)OC(=O)C)OC(=O)C |
| InChI Key | XFNLWZCTEDTRGB-KJWHEZOQSA-N |
| Molecular Formula | C17H22Cl3NO9 |
| Exact Mass | 490.717 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 4, 2025 |
| Metadata last updated | February 4, 2025 |
| Created | February 4, 2025 |
| Format | HTML |
| License | No License Provided |
| Id | 64ae967f-1e90-4fc9-96c0-3a22d25caa82 |
| Package id | 10-14272-xfnlwzctedtrgb-kjwhezoqsa-n-nmr-13c-cdcl3-100 |
| Resource type | HTML |
| State | active |