| SpectraBase Compound ID | 6bwek7zgXHB |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-3-6-7(11-6)5-8(9)10-4-2/h6-7H,3-5H2,1-2H3 |
| InChIKey | SBCKRNKVDGEBDV-UHFFFAOYSA-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 | DDoecBftHgf |
|---|---|
| Name | 3,4-Epoxyhexanoic 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/c1-3-6-7(11-6)5-8(9)10-4-2/h6-7H,3-5H2,1-2H3 |
| InChIKey | SBCKRNKVDGEBDV-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | C(C1C(CC(OCC)=O)O1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971119 |