| SpectraBase Compound ID | ED52RECNkfL |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-4-5-6-7(2)8(9)10-3/h5-6H,2,4H2,1,3H3/b6-5- |
| InChIKey | KRAGJRYPRYASKY-WAYWQWQTSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E6MXscbzOBh |
|---|---|
| Name | (Z)-2-Methylen-3-hexenoic acid-methylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-4-5-6-7(2)8(9)10-3/h5-6H,2,4H2,1,3H3/b6-5- |
| InChIKey | KRAGJRYPRYASKY-WAYWQWQTSA-N |
| SMILES | C=C(\C=C/CC)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841916 |