| SpectraBase Compound ID | HMrrPHLRrb4 |
|---|---|
| InChI | InChI=1S/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h6H,2-5,7H2,1H3 |
| InChIKey | LQANWSYLRLMKDX-UHFFFAOYSA-N |
| Mol Weight | 138.21 g/mol |
| Molecular Formula | C9H14O |
| Exact Mass | 138.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GH9671yZURz |
|---|---|
| Name | 2-N-Butyl-2-cyclopentenone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 138.104465070 u |
| Formula | C9H14O |
| InChI | InChI=1S/C9H14O/c1-2-3-5-8-6-4-7-9(8)10/h6H,2-5,7H2,1H3 |
| InChIKey | LQANWSYLRLMKDX-UHFFFAOYSA-N |
| Molecular Weight | 138.210 g/mol |
| SMILES | C1(C(=CCC1)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875952 |