| SpectraBase Compound ID | 3ApKzRqQUSY |
|---|---|
| InChI | InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h4,6,8H,1,3,5H2,2H3 |
| InChIKey | PGBCCQOWVMTNAN-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 | 9C7nRrHoJNv |
|---|---|
| Name | 2-Cyclohexen-1-one, 6-(1-methylethenyl)-, (.+-.)- |
| 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/c1-7(2)8-5-3-4-6-9(8)10/h4,6,8H,1,3,5H2,2H3 |
| InChIKey | PGBCCQOWVMTNAN-UHFFFAOYSA-N |
| Molecular Weight | 136.194 g/mol |
| SMILES | C1(C(C(=C)C)CCC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.841838 |