| SpectraBase Compound ID | 1ZmGwDiXE0S |
|---|---|
| InChI | InChI=1S/C5H6O3/c1-3-2-4(6)5(7)8-3/h2-3,6H,1H3 |
| InChIKey | JCGQVJRAKXPFNF-UHFFFAOYSA-N |
| Mol Weight | 114.1 g/mol |
| Molecular Formula | C5H6O3 |
| Exact Mass | 114.031694 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IgmWma47b6G |
|---|---|
| Name | 4-Methyl-2-oxobutyrolactone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 114.031694050 u |
| Formula | C5H6O3 |
| InChI | InChI=1S/C5H6O3/c1-3-2-4(6)5(7)8-3/h2-3,6H,1H3 |
| InChIKey | JCGQVJRAKXPFNF-UHFFFAOYSA-N |
| Molecular Weight | 114.100 g/mol |
| SMILES | C1(=O)C(O)=CC(O1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980109 |