| SpectraBase Compound ID | CsMhPYL7lAs |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-5-10-8(9)7(4)6(2)3/h5H2,1-4H3 |
| InChIKey | XQLHWKOJIVYSGS-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6f3ecKaDj9f |
|---|---|
| Name | 2-Butenoic acid, 2,3-dimethyl-, ethyl 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/c1-5-10-8(9)7(4)6(2)3/h5H2,1-4H3 |
| InChIKey | XQLHWKOJIVYSGS-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | C(C(=O)OCC)(=C(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.947234 |