| SpectraBase Compound ID | 2eIHr0BR6d5 |
|---|---|
| InChI | InChI=1S/C15H13BrO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-11,15,17H/b14-11+ |
| InChIKey | NPXNJSNDMOEUNV-SDNWHVSQSA-N |
| Mol Weight | 289.17 g/mol |
| Molecular Formula | C15H13BrO |
| Exact Mass | 288.014978 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AcmQplmPx2g |
|---|---|
| Name | (E)-2-Bromo-1,3-diphenylallyl alcohol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.014978038 u |
| Formula | C15H13BrO |
| InChI | InChI=1S/C15H13BrO/c16-14(11-12-7-3-1-4-8-12)15(17)13-9-5-2-6-10-13/h1-11,15,17H/b14-11+ |
| InChIKey | NPXNJSNDMOEUNV-SDNWHVSQSA-N |
| SMILES | C1(\C=C/(C(C=2C=CC=CC2)O)Br)=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.97695 |