| SpectraBase Compound ID | AYw7GAuuvXO |
|---|---|
| InChI | InChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h6H,3-5H2,1-2H3,(H,9,10) |
| InChIKey | WRPMHFHMXOUTTI-UHFFFAOYSA-N |
| Mol Weight | 142.2 g/mol |
| Molecular Formula | C8H14O2 |
| Exact Mass | 142.09938 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 8FntKcebF8J |
|---|---|
| Name | 3-Ethyl-2-hexenoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.099379689 u |
| Formula | C8H14O2 |
| InChI | InChI=1S/C8H14O2/c1-3-5-7(4-2)6-8(9)10/h6H,3-5H2,1-2H3,(H,9,10) |
| InChIKey | WRPMHFHMXOUTTI-UHFFFAOYSA-N |
| Molecular Weight | 142.198 g/mol |
| SMILES | OC(C=C(CCC)CC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.933423 |