| SpectraBase Compound ID | EdHlKsxa9gr |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-9(14)4-5-11-6-7-12(17-10(2)15)13(8-11)16-3/h6-8H,4-5H2,1-3H3 |
| InChIKey | WZACUTBSCIVUCF-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Xp3muhxNbE |
|---|---|
| Name | Zingerone, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.104858991 u |
| Formula | C13H16O4 |
| InChI | InChI=1S/C13H16O4/c1-9(14)4-5-11-6-7-12(17-10(2)15)13(8-11)16-3/h6-8H,4-5H2,1-3H3 |
| InChIKey | WZACUTBSCIVUCF-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | C(CC(C)=O)C1=CC(OC)=C(C=C1)OC(C)=O |