| SpectraBase Compound ID | IrglLgmgxBw |
|---|---|
| InChI | InChI=1S/C12H20O2/c1-3-4-5-6-7-11-8-10(2)9-12(13)14-11/h9,11H,3-8H2,1-2H3 |
| InChIKey | WCFNMGFOPBZXSX-UHFFFAOYSA-N |
| Mol Weight | 196.29 g/mol |
| Molecular Formula | C12H20O2 |
| Exact Mass | 196.14633 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | F8N8kT5s297 |
|---|---|
| Name | 5,6-Dihydro-4-methyl-6-hexyl-2H-pyran-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.146329882 u |
| Formula | C12H20O2 |
| InChI | InChI=1S/C12H20O2/c1-3-4-5-6-7-11-8-10(2)9-12(13)14-11/h9,11H,3-8H2,1-2H3 |
| InChIKey | WCFNMGFOPBZXSX-UHFFFAOYSA-N |
| Molecular Weight | 196.290 g/mol |
| SMILES | C1(C=C(CC(O1)CCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926554 |