![[2]-Gingerdione](/api/spectrum/2BHQ3kJ5stB/structure.png?h=300&w=458 "[2]-Gingerdione")
| SpectraBase Compound ID | 5oO44oFVsV4 |
|---|---|
| InChI | InChI=1S/C13H16O4/c1-9(14)7-11(15)5-3-10-4-6-12(16)13(8-10)17-2/h4,6,8,16H,3,5,7H2,1-2H3 |
| InChIKey | ASOVUCJFCHQGTH-UHFFFAOYSA-N |
| Mol Weight | 236.27 g/mol |
| Molecular Formula | C13H16O4 |
| Exact Mass | 236.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2BHQ3kJ5stB |
|---|---|
| Name | [2]-Gingerdione |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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)7-11(15)5-3-10-4-6-12(16)13(8-10)17-2/h4,6,8,16H,3,5,7H2,1-2H3 |
| InChIKey | ASOVUCJFCHQGTH-UHFFFAOYSA-N |
| Molecular Weight | 236.267 g/mol |
| SMILES | CC(CC(CCC1=CC(=C(C=C1)O)OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.828119 |