| SpectraBase Compound ID | 2SKzZAos9Gz |
|---|---|
| InChI | InChI=1S/C13H19Cl/c1-13(2,10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3 |
| InChIKey | BGLFCQUZOHYMLN-UHFFFAOYSA-N |
| Mol Weight | 210.75 g/mol |
| Molecular Formula | C13H19Cl |
| Exact Mass | 210.117528 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 56Req3sWYVk |
|---|---|
| Name | (6-Chloro-2-methylhexan-2-yl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.117528312 u |
| Formula | C13H19Cl |
| InChI | InChI=1S/C13H19Cl/c1-13(2,10-6-7-11-14)12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3 |
| InChIKey | BGLFCQUZOHYMLN-UHFFFAOYSA-N |
| Molecular Weight | 210.748 g/mol |
| SMILES | C1(=CC=CC=C1)C(C)(CCCCCl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933035 |