| SpectraBase Compound ID | 798tC7zjgf6 |
|---|---|
| InChI | InChI=1S/C6H10O/c1-4-6(2,3)5-7/h4-5H,1H2,2-3H3 |
| InChIKey | MWJDECFURLKSSP-UHFFFAOYSA-N |
| Mol Weight | 98.14 g/mol |
| Molecular Formula | C6H10O |
| Exact Mass | 98.073165 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IHREu1KAdFS |
|---|---|
| Name | 3-Butenal, 2,2-dimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.073164941 u |
| Formula | C6H10O |
| InChI | InChI=1S/C6H10O/c1-4-6(2,3)5-7/h4-5H,1H2,2-3H3 |
| InChIKey | MWJDECFURLKSSP-UHFFFAOYSA-N |
| Molecular Weight | 98.145 g/mol |
| SMILES | C(C=C)(C=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95047 |