| SpectraBase Compound ID | A6s1XfzEg5l |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-3-6(5-8)7(9)10-4-2/h3,8H,4-5H2,1-2H3/b6-3+ |
| InChIKey | KUYMKSKWBTWELN-ZZXKWVIFSA-N |
| Mol Weight | 144.17 g/mol |
| Molecular Formula | C7H12O3 |
| Exact Mass | 144.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HQia9OSpWM3 |
|---|---|
| Name | Ethyl (E)-2-(hydroxymethyl)but-2-enoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 144.078644243 u |
| Formula | C7H12O3 |
| InChI | InChI=1S/C7H12O3/c1-3-6(5-8)7(9)10-4-2/h3,8H,4-5H2,1-2H3/b6-3+ |
| InChIKey | KUYMKSKWBTWELN-ZZXKWVIFSA-N |
| SMILES | C(\C(=C\C)CO)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.914874 |