| SpectraBase Compound ID | 2ZqXATiHvHq |
|---|---|
| InChI | InChI=1S/C11H18Cl2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h9H,4-7H2,1-3H3 |
| InChIKey | RMJYWMPMLVCXTD-UHFFFAOYSA-N |
| Mol Weight | 221.17 g/mol |
| Molecular Formula | C11H18Cl2 |
| Exact Mass | 220.078556 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8ReAXilL37V |
|---|---|
| Name | 1-Tert-butyl-4-(dichloromethylene)cyclohexane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.078555980 u |
| Formula | C11H18Cl2 |
| InChI | InChI=1S/C11H18Cl2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h9H,4-7H2,1-3H3 |
| InChIKey | RMJYWMPMLVCXTD-UHFFFAOYSA-N |
| Molecular Weight | 221.171 g/mol |
| SMILES | C(=C1CCC(C(C)(C)C)CC1)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942506 |