| SpectraBase Compound ID | C81nAkKITqM |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-7(9)5-6-8(10)11-4-2/h5-7,9H,3-4H2,1-2H3/b6-5+ |
| InChIKey | PLKJBIKBHWNOFH-AATRIKPKSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LfJu0Wwa8Sg |
|---|---|
| Name | 4-Hydroxy-2-hexenoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-3-7(9)5-6-8(10)11-4-2/h5-7,9H,3-4H2,1-2H3/b6-5+ |
| InChIKey | PLKJBIKBHWNOFH-AATRIKPKSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(\C=C\C(OCC)=O)(O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.852236 |