| SpectraBase Compound ID | 3VyWiuWPf2t |
|---|---|
| InChI | InChI=1S/C11H16O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-5,9-10H,1,6-8H2,2H3/b5-4+,10-9+ |
| InChIKey | RWSLVAIUNVJDIZ-CMBSKSBMSA-N |
| Mol Weight | 164.25 g/mol |
| Molecular Formula | C11H16O |
| Exact Mass | 164.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HBNm4ijH35S |
|---|---|
| Name | (3E,8E)-Undeca-3,8,10-trien-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 164.120115134 u |
| Formula | C11H16O |
| InChI | InChI=1S/C11H16O/c1-3-4-5-6-7-8-9-10-11(2)12/h3-5,9-10H,1,6-8H2,2H3/b5-4+,10-9+ |
| InChIKey | RWSLVAIUNVJDIZ-CMBSKSBMSA-N |
| Molecular Weight | 164.248 g/mol |
| SMILES | C=C\C=C\CCC\C=C\C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957435 |