| SpectraBase Compound ID | AgIl6JJBqop |
|---|---|
| InChI | InChI=1S/C16H18O6/c1-16(2,3)15(18)22-13-10(19-4)8-9-6-7-11(17)21-12(9)14(13)20-5/h6-8H,1-5H3 |
| InChIKey | BHLDKEVILHBDHD-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 | IT3qlNyezhM |
|---|---|
| Name | Isofraxidin, 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)22-13-10(19-4)8-9-6-7-11(17)21-12(9)14(13)20-5/h6-8H,1-5H3 |
| InChIKey | BHLDKEVILHBDHD-UHFFFAOYSA-N |
| SMILES | COC1=C2C(=CC(=C1OC(C(C)(C)C)=O)OC)C=CC(O2)=O |