| SpectraBase Compound ID | KSo009T3a8g |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-5-10(12)9-6-7-11(3,4)13-8(9)2/h5-7H2,1-4H3 |
| InChIKey | ZERLPEUSKXJNAS-UHFFFAOYSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Vnqb07fASF |
|---|---|
| Name | 2,6,6-Trimethyl-3-ethylcarbonyl-5,6-dihydro-4H-pyran |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-5-10(12)9-6-7-11(3,4)13-8(9)2/h5-7H2,1-4H3 |
| InChIKey | ZERLPEUSKXJNAS-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(=C(CCC(O1)(C)C)C(=O)CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984604 |