| SpectraBase Compound ID | BaPHaH7FGVt |
|---|---|
| InChI | InChI=1S/C12H12O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2 |
| InChIKey | QBKAQTWEICLWHV-UHFFFAOYSA-N |
| Mol Weight | 172.23 g/mol |
| Molecular Formula | C12H12O |
| Exact Mass | 172.088815 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8gsH8W8P8iv |
|---|---|
| Name | 2-Phenylcyclohex-2-enone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.088815005 u |
| Formula | C12H12O |
| InChI | InChI=1S/C12H12O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-3,6-8H,4-5,9H2 |
| InChIKey | QBKAQTWEICLWHV-UHFFFAOYSA-N |
| Molecular Weight | 172.227 g/mol |
| SMILES | C=1(C(=O)CCCC1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.972953 |