![3-[(E)-but-2-enoxy]propanoic acid](/api/spectrum/FcSksujEioJ/structure.png?h=300&w=458 "3-[(E)-but-2-enoxy]propanoic acid")
| SpectraBase Compound ID | H9ShNNwhMwY |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+ |
| InChIKey | RRFDYOJCKDEPPW-NSCUHMNNSA-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 | FcSksujEioJ |
|---|---|
| Name | 3-[(E)-but-2-Enoxy]propanoic acid |
| 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/c1-2-3-5-10-6-4-7(8)9/h2-3H,4-6H2,1H3,(H,8,9)/b3-2+ |
| InChIKey | RRFDYOJCKDEPPW-NSCUHMNNSA-N |
| SMILES | C(CCOC\C=C\C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949908 |