| SpectraBase Compound ID | C0lKvngrb3t |
|---|---|
| InChI | InChI=1S/C6H8O/c1-3-6(4-2)5-7/h3-5H,1H2,2H3/b6-4- |
| InChIKey | XOBGIOGZLQNHMM-XQRVVYSFSA-N |
| Mol Weight | 96.13 g/mol |
| Molecular Formula | C6H8O |
| Exact Mass | 96.057515 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EH26mrvyMrF |
|---|---|
| Name | 2-Butenal, 2-ethenyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 96.057514877 u |
| Formula | C6H8O |
| InChI | InChI=1S/C6H8O/c1-3-6(4-2)5-7/h3-5H,1H2,2H3/b6-4- |
| InChIKey | XOBGIOGZLQNHMM-XQRVVYSFSA-N |
| Molecular Weight | 96.129 g/mol |
| SMILES | C(\C(=C\C)C=O)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.9572 |