| SpectraBase Compound ID | J5gLpx3vt6R |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-8-6-4-2-3-5-7/h2-6H,1H3/b3-2+,6-4+ |
| InChIKey | SFMPYPCCSJOTID-WJPDYIDTSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IWyiZ7ZG5GO |
|---|---|
| Name | (2E,4E)-5-Methoxypenta-2,4-dienal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-8-6-4-2-3-5-7/h2-6H,1H3/b3-2+,6-4+ |
| InChIKey | SFMPYPCCSJOTID-WJPDYIDTSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | CO\C=C\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955319 |