| SpectraBase Compound ID | HmFsMbwY63j |
|---|---|
| InChI | InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h2,6H,1,3-5,7H2 |
| InChIKey | JPFCSCMSXWDZPA-UHFFFAOYSA-N |
| Mol Weight | 136.19 g/mol |
| Molecular Formula | C9H12O |
| Exact Mass | 136.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9kR0oTY9v4q |
|---|---|
| Name | 3-Cyclohexenyl-1-propen-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.088815005 u |
| Formula | C9H12O |
| InChI | InChI=1S/C9H12O/c1-2-9(10)8-6-4-3-5-7-8/h2,6H,1,3-5,7H2 |
| InChIKey | JPFCSCMSXWDZPA-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C(=O)(C1=CCCCC1)C=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985213 |