| SpectraBase Compound ID | BAtl8fppJ39 |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3+ |
| InChIKey | KFXPOIKSDYRVKS-ONEGZZNKSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Lfj55xlyRck |
|---|---|
| Name | (E)-4-Heptenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-2-3-4-5-6-7(8)9/h3-4H,2,5-6H2,1H3,(H,8,9)/b4-3+ |
| InChIKey | KFXPOIKSDYRVKS-ONEGZZNKSA-N |
| SMILES | C(CC\C=C\CC)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.940139 |