| SpectraBase Compound ID | 8elBgdhvkA1 |
|---|---|
| InChI | InChI=1S/C5H6O2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3 |
| InChIKey | ZZEYQBNQZKUWKY-UHFFFAOYSA-N |
| Mol Weight | 98.1 g/mol |
| Molecular Formula | C5H6O2 |
| Exact Mass | 98.036779 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5szCGfos4OI |
|---|---|
| Name | 2(5H)-Furanone, 4-methyl-; 4-hydroxy-3-methyl-2-butenoic acid, lactone; 4-methyl-2(5H)-furanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 98.036779431 u |
| Formula | C5H6O2 |
| InChI | InChI=1S/C5H6O2/c1-4-2-5(6)7-3-4/h2H,3H2,1H3 |
| InChIKey | ZZEYQBNQZKUWKY-UHFFFAOYSA-N |
| Molecular Weight | 98.101 g/mol |
| SMILES | C1(C=C(CO1)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.992168 |