| SpectraBase Compound ID | HgOyZcqiNkc |
|---|---|
| InChI | InChI=1S/C15H20O8/c1-8(17)21-7-11-12(18)13(19)14(20)15(23-11)22-10-5-3-2-4-9(10)6-16/h2-5,11-16,18-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1 |
| InChIKey | IERQJNGBILWLCY-UXXRCYHCSA-N |
| Mol Weight | 328.32 g/mol |
| Molecular Formula | C15H20O8 |
| Exact Mass | 328.115818 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZZQ7xTKMgj |
|---|---|
| Name | Fragilin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.115817596 u |
| Formula | C15H20O8 |
| InChI | InChI=1S/C15H20O8/c1-8(17)21-7-11-12(18)13(19)14(20)15(23-11)22-10-5-3-2-4-9(10)6-16/h2-5,11-16,18-20H,6-7H2,1H3/t11-,12-,13+,14-,15-/m1/s1 |
| InChIKey | IERQJNGBILWLCY-UXXRCYHCSA-N |
| Molecular Weight | 328.317 g/mol |
| SMILES | [C@]1([C@@]([C@@](O)([C@@]([C@](O1)(COC(=O)C)[H])(O)[H])[H])(O)[H])(OC=1C(CO)=CC=CC1)[H] |