| SpectraBase Compound ID | 46uLly8QTFx |
|---|---|
| InChI | InChI=1S/C10H14O2/c1-8(11)5-6-9-3-2-4-10(12)7-9/h7H,2-6H2,1H3 |
| InChIKey | ZBCMIYJESBJOQT-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 | 3UmU6yW7qnL |
|---|---|
| Name | 3-(3-Oxobutyl)cyclohex-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/c1-8(11)5-6-9-3-2-4-10(12)7-9/h7H,2-6H2,1H3 |
| InChIKey | ZBCMIYJESBJOQT-UHFFFAOYSA-N |
| Molecular Weight | 166.220 g/mol |
| SMILES | C1(C=C(CCC1)CCC(C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988188 |