| SpectraBase Compound ID | 57WMaqWTfOQ |
|---|---|
| InChI | InChI=1S/C16H18O6/c1-16(2,3)15(18)22-14-11(19-4)8-10-9(13(14)20-5)6-7-12(17)21-10/h6-8H,1-5H3 |
| InChIKey | WVRSLEKEHCOGFH-UHFFFAOYSA-N |
| Mol Weight | 306.31 g/mol |
| Molecular Formula | C16H18O6 |
| Exact Mass | 306.110338 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BC40ywytkyy |
|---|---|
| Name | Fraxinol, trimethylacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.110338294 u |
| Formula | C16H18O6 |
| InChI | InChI=1S/C16H18O6/c1-16(2,3)15(18)22-14-11(19-4)8-10-9(13(14)20-5)6-7-12(17)21-10/h6-8H,1-5H3 |
| InChIKey | WVRSLEKEHCOGFH-UHFFFAOYSA-N |
| SMILES | COC1=C2C(=CC(=C1OC(C(C)(C)C)=O)OC)OC(C=C2)=O |