![8-Chloro-11-ethoxy[5]metacyclophane](/api/spectrum/4jpP9h6lotC/structure.png?h=300&w=458 "8-Chloro-11-ethoxy[5]metacyclophane")
| SpectraBase Compound ID | 9bNIDMZZD19 |
|---|---|
| InChI | InChI=1S/C13H17ClO/c1-2-15-13-10-6-4-3-5-7-11(13)9-12(14)8-10/h8-9H,2-7H2,1H3 |
| InChIKey | WIYUUHGGPGHVHE-UHFFFAOYSA-N |
| Mol Weight | 224.73 g/mol |
| Molecular Formula | C13H17ClO |
| Exact Mass | 224.096793 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4jpP9h6lotC |
|---|---|
| Name | 8-Chloro-11-ethoxy-[5]-metacyclophane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.096792866 u |
| Formula | C13H17ClO |
| InChI | InChI=1S/C13H17ClO/c1-2-15-13-10-6-4-3-5-7-11(13)9-12(14)8-10/h8-9H,2-7H2,1H3 |
| InChIKey | WIYUUHGGPGHVHE-UHFFFAOYSA-N |
| Molecular Weight | 224.731 g/mol |
| SMILES | C=1(Cl)C=C2CCCCCC(C1)=C2OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949344 |