| SpectraBase Compound ID | IiVxKJcg9kp |
|---|---|
| InChI | InChI=1S/C7H12O2/c1-7(2)4-3-5-9-6(7)8/h3-5H2,1-2H3 |
| InChIKey | CJNWCYZELLHABH-UHFFFAOYSA-N |
| Mol Weight | 128.17 g/mol |
| Molecular Formula | C7H12O2 |
| Exact Mass | 128.08373 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4HenwtiiSpt |
|---|---|
| Name | 3,3-Dimethyltetrahydro-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 128.083729624 u |
| Formula | C7H12O2 |
| InChI | InChI=1S/C7H12O2/c1-7(2)4-3-5-9-6(7)8/h3-5H2,1-2H3 |
| InChIKey | CJNWCYZELLHABH-UHFFFAOYSA-N |
| SMILES | C1CCC(C)(C)C(=O)O1 |
| Spectrum/Structure Validation Score (Raman) | 0.982377 |