| SpectraBase Compound ID | 1IHHF2Wyezf |
|---|---|
| InChI | InChI=1S/C7H12O3/c1-6(2)5-10-4-3-7(8)9/h1,3-5H2,2H3,(H,8,9) |
| InChIKey | JTAWLLYDRLKWDW-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 | Bx1kB6Pl3VJ |
|---|---|
| Name | 3-(2-Methylallyloxy)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/c1-6(2)5-10-4-3-7(8)9/h1,3-5H2,2H3,(H,8,9) |
| InChIKey | JTAWLLYDRLKWDW-UHFFFAOYSA-N |
| SMILES | C(CCOCC(=C)C)(=O)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.900013 |