| SpectraBase Compound ID | E0dF5VMhQEE |
|---|---|
| InChI | InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3 |
| InChIKey | WHBGXDGQNOAWLX-UHFFFAOYSA-N |
| Mol Weight | 100.12 g/mol |
| Molecular Formula | C5H8O2 |
| Exact Mass | 100.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6G6lmdFX6YY |
|---|---|
| Name | 4,4-Dimethyl-2-oxetanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 100.052429496 u |
| Formula | C5H8O2 |
| InChI | InChI=1S/C5H8O2/c1-5(2)3-4(6)7-5/h3H2,1-2H3 |
| InChIKey | WHBGXDGQNOAWLX-UHFFFAOYSA-N |
| Molecular Weight | 100.117 g/mol |
| SMILES | C1(OC(C1)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993266 |