| SpectraBase Compound ID | DWpS0fErwEd |
|---|---|
| InChI | InChI=1S/C9H13ClO/c1-2-4-9(11)7-5-3-6-8(7)10/h2-6H2,1H3 |
| InChIKey | NFGBMXZYQVCAJP-UHFFFAOYSA-N |
| Mol Weight | 172.65 g/mol |
| Molecular Formula | C9H13ClO |
| Exact Mass | 172.065493 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AdwqAOrFf62 |
|---|---|
| Name | 2-Chloro-1-butanoylcyclopent-1-ene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.065492738 u |
| Formula | C9H13ClO |
| InChI | InChI=1S/C9H13ClO/c1-2-4-9(11)7-5-3-6-8(7)10/h2-6H2,1H3 |
| InChIKey | NFGBMXZYQVCAJP-UHFFFAOYSA-N |
| Molecular Weight | 172.655 g/mol |
| SMILES | C1(=C(CCC1)Cl)C(CCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.864877 |