| SpectraBase Compound ID | 1j8Ncq6CFav |
|---|---|
| InChI | InChI=1S/C8H12O/c1-2-8(9)7-5-3-4-6-7/h5H,2-4,6H2,1H3 |
| InChIKey | JFLUEFBLFMYJOE-UHFFFAOYSA-N |
| Mol Weight | 124.18 g/mol |
| Molecular Formula | C8H12O |
| Exact Mass | 124.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H1nUU6L6KYR |
|---|---|
| Name | 1-(1-Cyclopentenyl)-1-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 124.088815005 u |
| Formula | C8H12O |
| InChI | InChI=1S/C8H12O/c1-2-8(9)7-5-3-4-6-7/h5H,2-4,6H2,1H3 |
| InChIKey | JFLUEFBLFMYJOE-UHFFFAOYSA-N |
| Molecular Weight | 124.183 g/mol |
| SMILES | C1(C(=O)CC)=CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.991421 |