| SpectraBase Compound ID | DpUs3zApOoR |
|---|---|
| InChI | InChI=1S/C8H15Br/c1-7(2)4-5-8(3)6-9/h6-7H,4-5H2,1-3H3/b8-6- |
| InChIKey | XKDVXCUYECBVQY-VURMDHGXSA-N |
| Mol Weight | 191.11 g/mol |
| Molecular Formula | C8H15Br |
| Exact Mass | 190.035713 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | COgh2DnN1uJ |
|---|---|
| Name | 1-Hexene, 1-bromo-2,5-dimethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.035713483 u |
| Formula | C8H15Br |
| InChI | InChI=1S/C8H15Br/c1-7(2)4-5-8(3)6-9/h6-7H,4-5H2,1-3H3/b8-6- |
| InChIKey | XKDVXCUYECBVQY-VURMDHGXSA-N |
| Molecular Weight | 191.112 g/mol |
| SMILES | C(\C(=C/Br)C)CC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.943237 |