| SpectraBase Compound ID | BrSPztY6wRR |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3 |
| InChIKey | GVVKBARIYRBZHC-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KqJz4H84SHp |
|---|---|
| Name | Propanoic acid, 2,2-dimethyl-, 2-propenyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-5-6-10-7(9)8(2,3)4/h5H,1,6H2,2-4H3 |
| InChIKey | GVVKBARIYRBZHC-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C(C)(C)C)(=O)OCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.959286 |