| SpectraBase Compound ID | B9SKe9InZmj |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-2-3-4-5-8-11-9-6-7-10/h2-5,7H,6,8-9H2,1H3/b3-2+,5-4+ |
| InChIKey | RIWCVHMSKHKOAX-MQQKCMAXSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | r6buiuNO4j |
|---|---|
| Name | 3-((2E,4E)-Hexa-2,4-dienyloxy)propanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-2-3-4-5-8-11-9-6-7-10/h2-5,7H,6,8-9H2,1H3/b3-2+,5-4+ |
| InChIKey | RIWCVHMSKHKOAX-MQQKCMAXSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(CCOC\C=C\C=C\C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979743 |