| SpectraBase Compound ID | JnqwJUhxKA2 |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-7-3-6-10(12)9(7)5-4-8(2)11/h3-6H2,1-2H3 |
| InChIKey | LYXAZZGJOOVDOC-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C10H14O2 |
| Exact Mass | 166.09938 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CmtvlZRkGaH |
|---|---|
| Name | 2-(3-Ketobutyl)-3-methyl-cyclopent-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.099379689 u |
| Formula | C10H14O2 |
| InChI | InChI=1S/C10H14O2/c1-7-3-6-10(12)9(7)5-4-8(2)11/h3-6H2,1-2H3 |
| InChIKey | LYXAZZGJOOVDOC-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1(=C(CCC1=O)C)CCC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.989733 |