| SpectraBase Compound ID | 3XcfQxnVnHq |
|---|---|
| InChI | InChI=1S/C8H12O3/c1-6(8(10)11-3)4-5-7(2)9/h1,4-5H2,2-3H3 |
| InChIKey | CZMAZUJMOQFCBB-UHFFFAOYSA-N |
| Mol Weight | 156.18 g/mol |
| Molecular Formula | C8H12O3 |
| Exact Mass | 156.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FPtEPYwoWsr |
|---|---|
| Name | 2-Methylene-5-oxo-hexanoic-acid-methylester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.078644243 u |
| Formula | C8H12O3 |
| InChI | InChI=1S/C8H12O3/c1-6(8(10)11-3)4-5-7(2)9/h1,4-5H2,2-3H3 |
| InChIKey | CZMAZUJMOQFCBB-UHFFFAOYSA-N |
| Molecular Weight | 156.181 g/mol |
| SMILES | COC(=O)C(=C)CCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979913 |