| SpectraBase Compound ID | AOMKcZBdQfV |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-5-3-6(2)9-7(8)4-5/h3,5H,4H2,1-2H3 |
| InChIKey | UPCDWBFNKSZLIC-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GlOWAats2vl |
|---|---|
| Name | 3,4-Dihydro-4,6-dimethyl-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 126.068079560 u |
| Formula | C7H10O2 |
| InChI | InChI=1S/C7H10O2/c1-5-3-6(2)9-7(8)4-5/h3,5H,4H2,1-2H3 |
| InChIKey | UPCDWBFNKSZLIC-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C1(=O)CC(C=C(O1)C)C |
| Spectrum/Structure Validation Score (Raman) | 0.986488 |