| SpectraBase Compound ID | HhRG1f5yVPb |
|---|---|
| InChI | InChI=1S/C13H16O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | SYVOMAJRFUGVQI-AATRIKPKSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JU6u3jfk7Vo |
|---|---|
| Name | 2,3-Dehydro-4-oxo-.beta.-ionone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c1-9(14)5-6-11-10(2)12(15)7-8-13(11,3)4/h5-8H,1-4H3/b6-5+ |
| InChIKey | SYVOMAJRFUGVQI-AATRIKPKSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | C1=CC(C(=C(C1=O)C)\C=C\C(C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941772 |