| SpectraBase Compound ID | xqPkNQ0Vqw |
|---|---|
| InChI | InChI=1S/C13H14O/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9-10H2 |
| InChIKey | VQXQHTJRQCNWEG-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 | KPpP20lv9pL |
|---|---|
| Name | Benzylcyclohexenone |
| 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/c14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-3,6-8H,4-5,9-10H2 |
| InChIKey | VQXQHTJRQCNWEG-UHFFFAOYSA-N |
| Molecular Weight | 186.254 g/mol |
| SMILES | C1(C(=CCCC1)CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971457 |