| SpectraBase Compound ID | FKHrE6lPuXt |
|---|---|
| InChI | InChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)6-9(7)11/h2,7H,1,3-6H2 |
| InChIKey | QYRCMTCDSZFQHQ-UHFFFAOYSA-N |
| Mol Weight | 152.19 g/mol |
| Molecular Formula | C9H12O2 |
| Exact Mass | 152.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fkz5ZWJ8U6Y |
|---|---|
| Name | 4-Allylcyclohexane-1,3-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.083729624 u |
| Formula | C9H12O2 |
| InChI | InChI=1S/C9H12O2/c1-2-3-7-4-5-8(10)6-9(7)11/h2,7H,1,3-6H2 |
| InChIKey | QYRCMTCDSZFQHQ-UHFFFAOYSA-N |
| Molecular Weight | 152.193 g/mol |
| SMILES | C1(CC(C(CC1)CC=C)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.89372 |