| SpectraBase Compound ID | 9DmcmLvapeW |
|---|---|
| InChI | InChI=1S/C13H16/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h3,5-8,10,12H,2,4,9H2,1H3 |
| InChIKey | OSOBNOXOQRTMFA-UHFFFAOYSA-N |
| Mol Weight | 172.27 g/mol |
| Molecular Formula | C13H16 |
| Exact Mass | 172.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JsVfyaTJGes |
|---|---|
| Name | 3-(2-Methylphenyl)cyclohexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.125200515 u |
| Formula | C13H16 |
| InChI | InChI=1S/C13H16/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12/h3,5-8,10,12H,2,4,9H2,1H3 |
| InChIKey | OSOBNOXOQRTMFA-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C1=CCCCC1C1=C(C=CC=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.913075 |