| SpectraBase Compound ID | 24sRQB15Naw |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-3-13-8-7-10-9(2)5-4-6-11(10)12/h3-8H2,1-2H3 |
| InChIKey | UQWGDGPJWCXLLB-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 | GZjdlgO3Gc7 |
|---|---|
| Name | 3-Methyl-2-(3-oxapentyl)-2-cyclohexen-1-on |
| 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/c1-3-13-8-7-10-9(2)5-4-6-11(10)12/h3-8H2,1-2H3 |
| InChIKey | UQWGDGPJWCXLLB-UHFFFAOYSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C1(=O)C(CCOCC)=C(C)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.834855 |