| SpectraBase Compound ID | AD12emDkAAw |
|---|---|
| InChI | InChI=1S/C9H14O2/c1-4-6-7-8(3)9(10)11-5-2/h4,6H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | NVNKOEHZFZLKMR-GQCTYLIASA-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 | E9hWWhHAYRR |
|---|---|
| Name | (E)-2-Methylene-4-hexenoic acid ethyl 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/c1-4-6-7-8(3)9(10)11-5-2/h4,6H,3,5,7H2,1-2H3/b6-4+ |
| InChIKey | NVNKOEHZFZLKMR-GQCTYLIASA-N |
| Molecular Weight | 154.209 g/mol |
| SMILES | C(C(=C)C\C=C\C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956959 |