| SpectraBase Compound ID | 6fNjqPFdBdp |
|---|---|
| InChI | InChI=1S/C15H16O6/c1-8(2)15(17)21-14-11(18-3)7-10-9(13(14)19-4)5-6-12(16)20-10/h5-8H,1-4H3 |
| InChIKey | XWEXIFAAFRXNGD-UHFFFAOYSA-N |
| Mol Weight | 292.29 g/mol |
| Molecular Formula | C15H16O6 |
| Exact Mass | 292.094688 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9keQYdaBTqP |
|---|---|
| Name | Fraxinol, 2-methylpropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.094688229 u |
| Formula | C15H16O6 |
| InChI | InChI=1S/C15H16O6/c1-8(2)15(17)21-14-11(18-3)7-10-9(13(14)19-4)5-6-12(16)20-10/h5-8H,1-4H3 |
| InChIKey | XWEXIFAAFRXNGD-UHFFFAOYSA-N |
| Molecular Weight | 292.287 g/mol |
| SMILES | COC1=C2C(=CC(=C1OC(C(C)C)=O)OC)OC(C=C2)=O |