| SpectraBase Compound ID | JhhEnwA7Kqx |
|---|---|
| InChI | InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChIKey | ICPWFHKNYYRBSZ-UHFFFAOYSA-N |
| Mol Weight | 104.1 g/mol |
| Molecular Formula | C4H8O3 |
| Exact Mass | 104.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HMfszeTmGUY |
|---|---|
| Name | Propanoic acid, 2-methoxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 104.047344115 u |
| Formula | C4H8O3 |
| InChI | InChI=1S/C4H8O3/c1-3(7-2)4(5)6/h3H,1-2H3,(H,5,6) |
| InChIKey | ICPWFHKNYYRBSZ-UHFFFAOYSA-N |
| Molecular Weight | 104.105 g/mol |
| SMILES | C(O)(C(OC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.94889 |