| SpectraBase Compound ID | FJ8nwebFbPX |
|---|---|
| InChI | InChI=1S/C9H11Cl/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3 |
| InChIKey | CHMJJIHXWABUHA-UHFFFAOYSA-N |
| Mol Weight | 154.64 g/mol |
| Molecular Formula | C9H11Cl |
| Exact Mass | 154.054928 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HLHly3ds2sg |
|---|---|
| Name | 2,3-Dimethylbenzylchloride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 154.054928054 u |
| Formula | C9H11Cl |
| InChI | InChI=1S/C9H11Cl/c1-7-4-3-5-9(6-10)8(7)2/h3-5H,6H2,1-2H3 |
| InChIKey | CHMJJIHXWABUHA-UHFFFAOYSA-N |
| Molecular Weight | 154.640 g/mol |
| SMILES | C(Cl)C=1C(C)=C(C)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.869635 |