| SpectraBase Compound ID | NkTZBUFXMU |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-7(2)6-9(10)11-8-4-3-5-8/h6,8H,3-5H2,1-2H3 |
| InChIKey | PUIFCWSDNQBEMF-UHFFFAOYSA-N |
| Mol Weight | 154.21 g/mol |
| Molecular Formula | C9H14O2 |
| Exact Mass | 154.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FnaqRI1YPhz |
|---|---|
| Name | 3-Methyl-2-butenoic acid, cyclobutyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.099379689 u |
| Formula | C9H14O2 |
| InChI | InChI=1S/C9H14O2/c1-7(2)6-9(10)11-8-4-3-5-8/h6,8H,3-5H2,1-2H3 |
| InChIKey | PUIFCWSDNQBEMF-UHFFFAOYSA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | CC(C)=CC(OC1CCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852477 |