| SpectraBase Compound ID | 9idT4vsFIhY |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-2-3-5-10-6-4-7(8)9/h2H,1,3-6H2,(H,8,9) |
| InChIKey | QSEUWRPHTXSJDK-UHFFFAOYSA-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 | AZMvvvsN0Hp |
|---|---|
| Name | 3-but-3-Enoxypropanoic 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/h2H,1,3-6H2,(H,8,9) |
| InChIKey | QSEUWRPHTXSJDK-UHFFFAOYSA-N |
| SMILES | C(CCOCCC=C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.877533 |