| SpectraBase Compound ID | J3DnvgUtrf4 |
|---|---|
| InChI | InChI=1S/C11H16O2/c1-10(12)8-6-4-3-5-7-9-11(2)13/h4,8H,3,5,7,9H2,1-2H3 |
| InChIKey | HEXGHBSSLNIGCT-UHFFFAOYSA-N |
| Mol Weight | 180.25 g/mol |
| Molecular Formula | C11H16O2 |
| Exact Mass | 180.11503 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BisklQMZcTo |
|---|---|
| Name | Undeca-3,4-diene-2,10-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.115029753 u |
| Formula | C11H16O2 |
| InChI | InChI=1S/C11H16O2/c1-10(12)8-6-4-3-5-7-9-11(2)13/h4,8H,3,5,7,9H2,1-2H3 |
| InChIKey | HEXGHBSSLNIGCT-UHFFFAOYSA-N |
| Molecular Weight | 180.247 g/mol |
| SMILES | CC(CCCCC=C=CC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964827 |