| SpectraBase Compound ID | CS7M9hOXgwA |
|---|---|
| InChI | InChI=1S/C7H8O2/c1-2-9-7-5-3-4-6-8/h3-4,6H,2H2,1H3/b4-3+ |
| InChIKey | KBIJQBOYWSSKHH-ONEGZZNKSA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H9N0cjMC6VC |
|---|---|
| Name | 5-Ethoxypent-2-en-4-ynal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c1-2-9-7-5-3-4-6-8/h3-4,6H,2H2,1H3/b4-3+ |
| InChIKey | KBIJQBOYWSSKHH-ONEGZZNKSA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C(#COCC)\C=C\C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.904285 |