| SpectraBase Compound ID | 96lpOa7zbTy |
|---|---|
| InChI | InChI=1S/C14H21Cl/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3 |
| InChIKey | KFPORIGYWLAQSE-UHFFFAOYSA-N |
| Mol Weight | 224.77 g/mol |
| Molecular Formula | C14H21Cl |
| Exact Mass | 224.133178 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6MBRjVDwWNg |
|---|---|
| Name | 1-Chloro-4-octylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.133178376 u |
| Formula | C14H21Cl |
| InChI | InChI=1S/C14H21Cl/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12H,2-8H2,1H3 |
| InChIKey | KFPORIGYWLAQSE-UHFFFAOYSA-N |
| Molecular Weight | 224.775 g/mol |
| SMILES | C=1(C=CC(=CC1)CCCCCCCC)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.86925 |