| SpectraBase Compound ID | H1gcpqYyfjq |
|---|---|
| InChI | InChI=1S/C11H15Cl/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3 |
| InChIKey | GPRIKJSAAYMDPC-UHFFFAOYSA-N |
| Mol Weight | 182.69 g/mol |
| Molecular Formula | C11H15Cl |
| Exact Mass | 182.086228 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bti0emSWXNc |
|---|---|
| Name | 1-Chloro-4-pentylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.086228183 u |
| Formula | C11H15Cl |
| InChI | InChI=1S/C11H15Cl/c1-2-3-4-5-10-6-8-11(12)9-7-10/h6-9H,2-5H2,1H3 |
| InChIKey | GPRIKJSAAYMDPC-UHFFFAOYSA-N |
| Molecular Weight | 182.694 g/mol |
| SMILES | CCCCCC1=CC=C(Cl)C=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891908 |