| SpectraBase Compound ID | JQWsn3MlHc4 |
|---|---|
| InChI | InChI=1S/C13H13BrO/c1-3-4-13(9-14)12-7-5-11(6-8-12)10(2)15/h3,5-9H,1,4H2,2H3/b13-9+ |
| InChIKey | YMVRGXGAVMSONZ-UKTHLTGXSA-N |
| Mol Weight | 265.15 g/mol |
| Molecular Formula | C13H13BrO |
| Exact Mass | 264.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5Q2eY0fBpdQ |
|---|---|
| Name | (E)-1-Bromo-2-(4-acetylphenyl)-1,4-pentadiene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.014978038 u |
| Formula | C13H13BrO |
| InChI | InChI=1S/C13H13BrO/c1-3-4-13(9-14)12-7-5-11(6-8-12)10(2)15/h3,5-9H,1,4H2,2H3/b13-9+ |
| InChIKey | YMVRGXGAVMSONZ-UKTHLTGXSA-N |
| SMILES | C=1C=C(C=CC1\C(=C\Br)CC=C)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.926322 |