| SpectraBase Compound ID | 6gHpKTzNL0B |
|---|---|
| InChI | InChI=1S/C10H13Cl/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7H,1-3H3 |
| InChIKey | JVIGKRUGGYKFSL-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 | I5gTlhkA1cI |
|---|---|
| Name | Benzene, 2-chloro-1-methyl-4-(1-methylethyl)- |
| 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/c1-7(2)9-5-4-8(3)10(11)6-9/h4-7H,1-3H3 |
| InChIKey | JVIGKRUGGYKFSL-UHFFFAOYSA-N |
| Molecular Weight | 168.667 g/mol |
| SMILES | CC(C)C1=CC(Cl)=C(C=C1)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930606 |