![11-Chloro-[5]-metacyclophane](/api/spectrum/D99jFWk4oI0/structure.png?h=300&w=458 "11-Chloro-[5]-metacyclophane")
| SpectraBase Compound ID | 9EpNwdfYGMl |
|---|---|
| InChI | InChI=1S/C11H13Cl/c12-11-9-5-2-1-3-6-10(11)8-4-7-9/h4,7-8H,1-3,5-6H2 |
| InChIKey | XIQLDKJTQKVHKW-UHFFFAOYSA-N |
| Mol Weight | 180.68 g/mol |
| Molecular Formula | C11H13Cl |
| Exact Mass | 180.070578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | D99jFWk4oI0 |
|---|---|
| Name | 11-Chloro-[5]-metacyclophane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.070578119 u |
| Formula | C11H13Cl |
| InChI | InChI=1S/C11H13Cl/c12-11-9-5-2-1-3-6-10(11)8-4-7-9/h4,7-8H,1-3,5-6H2 |
| InChIKey | XIQLDKJTQKVHKW-UHFFFAOYSA-N |
| Molecular Weight | 180.678 g/mol |
| SMILES | C=1(Cl)C=2CCCCCC1C=CC2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.953013 |