| SpectraBase Compound ID | 8ncb0ng0g5p |
|---|---|
| InChI | InChI=1S/C7H8O3/c1-5-3-6(8)7(9-2)4-10-5/h3-4H,1-2H3 |
| InChIKey | WZGIPUBUWODBCC-UHFFFAOYSA-N |
| Mol Weight | 140.14 g/mol |
| Molecular Formula | C7H8O3 |
| Exact Mass | 140.047344 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7LYDftSs5ya |
|---|---|
| Name | 2-Methyl-5-methoxy-4H-pyran-4-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.047344115 u |
| Formula | C7H8O3 |
| InChI | InChI=1S/C7H8O3/c1-5-3-6(8)7(9-2)4-10-5/h3-4H,1-2H3 |
| InChIKey | WZGIPUBUWODBCC-UHFFFAOYSA-N |
| Molecular Weight | 140.138 g/mol |
| SMILES | C1=C(C(C=C(O1)C)=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.829106 |