| SpectraBase Compound ID | Ee5wcF9V0bH |
|---|---|
| InChI | InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 |
| InChIKey | XRTANKYQJQXSFP-UHFFFAOYSA-N |
| Mol Weight | 168.67 g/mol |
| Molecular Formula | C10H13Cl |
| Exact Mass | 168.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6bmWCJO8Oqd |
|---|---|
| Name | 1-Chloro-4-(1,1-dimethylethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.070578119 u |
| Formula | C10H13Cl |
| InChI | InChI=1S/C10H13Cl/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7H,1-3H3 |
| InChIKey | XRTANKYQJQXSFP-UHFFFAOYSA-N |
| Molecular Weight | 168.667 g/mol |
| SMILES | C1=C(C=CC(=C1)Cl)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.945158 |