| SpectraBase Compound ID | 9WM97ob96jq |
|---|---|
| InChI | InChI=1S/C13H16/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h3,5-7,9-10,12H,2,4,8H2,1H3 |
| InChIKey | OZEHAEVHOZBXQH-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 | GAKhW51hgUG |
|---|---|
| Name | 3-(3-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/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h3,5-7,9-10,12H,2,4,8H2,1H3 |
| InChIKey | OZEHAEVHOZBXQH-UHFFFAOYSA-N |
| Molecular Weight | 172.271 g/mol |
| SMILES | C1=CC(CCC1)C=1C=C(C=CC1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875152 |