| SpectraBase Compound ID | IwdsewLMGva |
|---|---|
| InChI | InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2 |
| InChIKey | CMBMYOXQJBCPFT-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C13H14O |
| Exact Mass | 186.104465 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4DiOrqXSg2K |
|---|---|
| Name | 4-Benzylcyclohex-2-en-1-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.104465070 u |
| Formula | C13H14O |
| InChI | InChI=1S/C13H14O/c14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-6,8,12H,7,9-10H2 |
| InChIKey | CMBMYOXQJBCPFT-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C1=CC(CC=2C=CC=CC2)CCC1=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.964365 |