| SpectraBase Compound ID | 72dBbowLyoJ |
|---|---|
| InChI | InChI=1S/C6H8O3/c1-4-3-5(8-2)6(7)9-4/h3-4H,1-2H3 |
| InChIKey | KGFZDNKYZXTHTL-UHFFFAOYSA-N |
| Mol Weight | 128.13 g/mol |
| Molecular Formula | C6H8O3 |
| Exact Mass | 128.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LLkeSDie4G3 |
|---|---|
| Name | 2(5H)-Furanone, 3-methoxy-5-methyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.047344115 u |
| Formula | C6H8O3 |
| InChI | InChI=1S/C6H8O3/c1-4-3-5(8-2)6(7)9-4/h3-4H,1-2H3 |
| InChIKey | KGFZDNKYZXTHTL-UHFFFAOYSA-N |
| Molecular Weight | 128.127 g/mol |
| SMILES | C1(C(=CC(O1)C)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.931976 |