| SpectraBase Compound ID | 494iTBAikYW |
|---|---|
| InChI | InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3 |
| InChIKey | KFKXSMSQHIOMSO-UHFFFAOYSA-N |
| Mol Weight | 88.06 g/mol |
| Molecular Formula | C3H4O3 |
| Exact Mass | 88.016044 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3oqnr4izG6T |
|---|---|
| Name | Acetic acid, oxo-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 88.016043986 u |
| Formula | C3H4O3 |
| InChI | InChI=1S/C3H4O3/c1-6-3(5)2-4/h2H,1H3 |
| InChIKey | KFKXSMSQHIOMSO-UHFFFAOYSA-N |
| SMILES | C(C(OC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.966932 |