| SpectraBase Compound ID | 9SAHl0tqNSf |
|---|---|
| InChI | InChI=1S/C16H16O5/c1-2-20-15(18)11-10-14(17)9-6-12-21-16(19)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b9-6+,11-10+ |
| InChIKey | FCTFULMZKQYRQV-GOKBKIRCSA-N |
| Mol Weight | 288.3 g/mol |
| Molecular Formula | C16H16O5 |
| Exact Mass | 288.099774 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8aar1ulrRn7 |
|---|---|
| Name | Homo-melodienone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.099773610 u |
| Formula | C16H16O5 |
| InChI | InChI=1S/C16H16O5/c1-2-20-15(18)11-10-14(17)9-6-12-21-16(19)13-7-4-3-5-8-13/h3-11H,2,12H2,1H3/b9-6+,11-10+ |
| InChIKey | FCTFULMZKQYRQV-GOKBKIRCSA-N |
| SMILES | C(=O)(C1=CC=CC=C1)OC\C=C\C(\C=C\C(=O)OCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938362 |