| SpectraBase Compound ID | 8O3MvsOLPJc |
|---|---|
| InChI | InChI=1S/C12H14Br2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3 |
| InChIKey | KSWSHGBSYCUEJD-UHFFFAOYSA-N |
| Mol Weight | 318.05 g/mol |
| Molecular Formula | C12H14Br2 |
| Exact Mass | 315.946226 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 39zYzucBuzW |
|---|---|
| Name | 1,1-Dibromo-3-phenylhexene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.946226451 u |
| Formula | C12H14Br2 |
| InChI | InChI=1S/C12H14Br2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h3-5,7-9,11H,2,6H2,1H3 |
| InChIKey | KSWSHGBSYCUEJD-UHFFFAOYSA-N |
| Molecular Weight | 318.052 g/mol |
| SMILES | C(=CC(CCC)C=1C=CC=CC1)(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.981107 |