| SpectraBase Compound ID | 7C1txP2WaOz |
|---|---|
| InChI | InChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3 |
| InChIKey | ULBWADKCMNAMFJ-UHFFFAOYSA-N |
| Mol Weight | 174.29 g/mol |
| Molecular Formula | C13H18 |
| Exact Mass | 174.140851 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JraFV49q0uF |
|---|---|
| Name | Meta-cyclohexyltoluene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 174.140850580 u |
| Formula | C13H18 |
| InChI | InChI=1S/C13H18/c1-11-6-5-9-13(10-11)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3 |
| InChIKey | ULBWADKCMNAMFJ-UHFFFAOYSA-N |
| Molecular Weight | 174.287 g/mol |
| SMILES | C1C(C=2C=CC=C(C)C2)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.88892 |