| SpectraBase Compound ID | CHwlXfSOQiD |
|---|---|
| InChI | InChI=1S/C7H10O2/c1-5-3-6(2)9-7(8)4-5/h4,6H,3H2,1-2H3 |
| InChIKey | HAQPDUQSMQJVEE-UHFFFAOYSA-N |
| Mol Weight | 126.15 g/mol |
| Molecular Formula | C7H10O2 |
| Exact Mass | 126.06808 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BHomRLdDKI |
|---|---|
| Name | 4,6-Dimethyl-5,6-dihydro-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/h4,6H,3H2,1-2H3 |
| InChIKey | HAQPDUQSMQJVEE-UHFFFAOYSA-N |
| Molecular Weight | 126.155 g/mol |
| SMILES | C1(OC(C)CC(=C1)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982173 |