| SpectraBase Compound ID | JeZI8Nq6VXq |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-4H,1,5-7H2,(H,9,10)/b4-3+ |
| InChIKey | TXORZOOFFDVXQY-ONEGZZNKSA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2UpGJueuuv3 |
|---|---|
| Name | 5,7-Octadienoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h2-4H,1,5-7H2,(H,9,10)/b4-3+ |
| InChIKey | TXORZOOFFDVXQY-ONEGZZNKSA-N |
| SMILES | C(=O)(O)CCC\C=C\C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896682 |