| SpectraBase Compound ID | 7YpbfjDIcqt |
|---|---|
| InChI | InChI=1S/C11H15Cl/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9H,3,6H2,1-2H3 |
| InChIKey | AOUWJZUHJLHZQT-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 | AgAFBAB7J9Y |
|---|---|
| Name | Benzene, chloro(1-methylbutyl)- |
| 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/c1-3-6-9(2)10-7-4-5-8-11(10)12/h4-5,7-9H,3,6H2,1-2H3 |
| InChIKey | AOUWJZUHJLHZQT-UHFFFAOYSA-N |
| Molecular Weight | 182.694 g/mol |
| SMILES | C=1(C(Cl)=CC=CC1)C(CCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.933642 |