| SpectraBase Compound ID | 2WGGthXvq7H |
|---|---|
| InChI | InChI=1S/C7H8O2/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H,8,9)/b4-3+,6-5- |
| InChIKey | FUCUVXOXNOUYJN-ICWBMWKASA-N |
| Mol Weight | 124.14 g/mol |
| Molecular Formula | C7H8O2 |
| Exact Mass | 124.052429 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 1UCHXBLBwW1 |
|---|---|
| Name | (2Z,4E)-Hepta-2,4,6-trienoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.052429496 u |
| Formula | C7H8O2 |
| InChI | InChI=1S/C7H8O2/c1-2-3-4-5-6-7(8)9/h2-6H,1H2,(H,8,9)/b4-3+,6-5- |
| InChIKey | FUCUVXOXNOUYJN-ICWBMWKASA-N |
| Molecular Weight | 124.139 g/mol |
| SMILES | C(\C=C/C=C/C=C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.969315 |