| SpectraBase Compound ID | EXpV45qPcCe |
|---|---|
| InChI | InChI=1S/C11H15Cl/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9H2,1H3 |
| InChIKey | ZFZDHCZLDOAJCA-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 | 73ZLwipNeLQ |
|---|---|
| Name | 1-Butyl-4-(chloromethyl)benzene |
| 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/c1-2-3-4-10-5-7-11(9-12)8-6-10/h5-8H,2-4,9H2,1H3 |
| InChIKey | ZFZDHCZLDOAJCA-UHFFFAOYSA-N |
| Molecular Weight | 182.694 g/mol |
| SMILES | C=1(C=CC(=CC1)CCl)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.90609 |