| SpectraBase Compound ID | 52DF4JARUIN |
|---|---|
| InChI | InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h3H,2,4H2,1H3 |
| InChIKey | DOSOPEZOHKMQPJ-UHFFFAOYSA-N |
| Mol Weight | 112.13 g/mol |
| Molecular Formula | C6H8O2 |
| Exact Mass | 112.052429 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 5VaL4F3Rp6M |
|---|---|
| Name | 3,4-Dihydro-6-methyl-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 112.052429496 u |
| Formula | C6H8O2 |
| InChI | InChI=1S/C6H8O2/c1-5-3-2-4-6(7)8-5/h3H,2,4H2,1H3 |
| InChIKey | DOSOPEZOHKMQPJ-UHFFFAOYSA-N |
| Molecular Weight | 112.128 g/mol |
| SMILES | C1C=C(C)OC(C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.974466 |