| SpectraBase Compound ID | 1up78GMLs2j |
|---|---|
| InChI | InChI=1S/C6H12O3/c1-5(4-8-2)6(7)9-3/h5H,4H2,1-3H3 |
| InChIKey | LYLUAHKXJUQFDG-UHFFFAOYSA-N |
| Mol Weight | 132.16 g/mol |
| Molecular Formula | C6H12O3 |
| Exact Mass | 132.078644 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AZoowng9buY |
|---|---|
| Name | Propanoic acid, 3-methoxy-2-methyl-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 132.078644243 u |
| Formula | C6H12O3 |
| InChI | InChI=1S/C6H12O3/c1-5(4-8-2)6(7)9-3/h5H,4H2,1-3H3 |
| InChIKey | LYLUAHKXJUQFDG-UHFFFAOYSA-N |
| SMILES | COCC(C(OC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989458 |