| SpectraBase Compound ID | z0JF38ABjy |
|---|---|
| InChI | InChI=1S/C12H17Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6H,1-5,7-9H2 |
| InChIKey | HJNHLLQXEHLBEN-UHFFFAOYSA-N |
| Mol Weight | 241.17 g/mol |
| Molecular Formula | C12H17Br |
| Exact Mass | 240.051364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IX16d5Mn626 |
|---|---|
| Name | (Bicyclohexyl-1,1'-dien-2-yl)bromide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.051363547 u |
| Formula | C12H17Br |
| InChI | InChI=1S/C12H17Br/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h6H,1-5,7-9H2 |
| InChIKey | HJNHLLQXEHLBEN-UHFFFAOYSA-N |
| Molecular Weight | 241.172 g/mol |
| SMILES | C1(C2=CCCCC2)=C(Br)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954937 |