| SpectraBase Compound ID | FZxikc7wrXu |
|---|---|
| InChI | InChI=1S/C7H8O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H,1H3,(H,8,9)/b4-2+,5-3+ |
| InChIKey | CEKUJDXLIOIGRR-ZUVMSYQZSA-N |
| Mol Weight | 156.14 g/mol |
| Molecular Formula | C7H8O4 |
| Exact Mass | 156.042259 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8GqGQIm4rSB |
|---|---|
| Name | (2E,4E)-6-Keto-6-methoxy-hexa-2,4-dienoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 156.042258734 u |
| Formula | C7H8O4 |
| InChI | InChI=1S/C7H8O4/c1-11-7(10)5-3-2-4-6(8)9/h2-5H,1H3,(H,8,9)/b4-2+,5-3+ |
| InChIKey | CEKUJDXLIOIGRR-ZUVMSYQZSA-N |
| Molecular Weight | 156.137 g/mol |
| SMILES | C(\C=C\C=C\C(=O)OC)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989932 |