| SpectraBase Compound ID | 7LxlfDN9bf3 |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+ |
| InChIKey | GRHWFPUCRVCMRY-TXFIJWAUSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4VqK1uSru8Q |
|---|---|
| Name | 2,6-Octadienedial, 2,6-dimethyl-, (E,E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-9(6-7-11)4-3-5-10(2)8-12/h5-8H,3-4H2,1-2H3/b9-6+,10-5+ |
| InChIKey | GRHWFPUCRVCMRY-TXFIJWAUSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C(\C=C\(C=O)C)C\C(=C\C=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872918 |