| SpectraBase Compound ID | LOzRoCimfWw |
|---|---|
| InChI | InChI=1S/C8H10O3/c1-7(5-6-9)3-4-8(10)11-2/h3-6H,1-2H3/b4-3+,7-5+ |
| InChIKey | GIVVGONGWCNEEF-BDWKERMESA-N |
| Mol Weight | 154.16 g/mol |
| Molecular Formula | C8H10O3 |
| Exact Mass | 154.062994 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FpDoVBWH2Yu |
|---|---|
| Name | Methyl 4-methyl-6-oxohexa-2,4-dienoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.062994179 u |
| Formula | C8H10O3 |
| InChI | InChI=1S/C8H10O3/c1-7(5-6-9)3-4-8(10)11-2/h3-6H,1-2H3/b4-3+,7-5+ |
| InChIKey | GIVVGONGWCNEEF-BDWKERMESA-N |
| SMILES | C(\C=C\C(=C\C=O)C)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.903964 |