| SpectraBase Compound ID | INCI1QvpTRu |
|---|---|
| InChI | InChI=1S/C15H11BrO/c1-17-14-9-10-15(16)13(11-14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3 |
| InChIKey | KDMFLXRMFJDTDF-UHFFFAOYSA-N |
| Mol Weight | 287.16 g/mol |
| Molecular Formula | C15H11BrO |
| Exact Mass | 285.999328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8exRQIEVziJ |
|---|---|
| Name | 2-Bromo-5-methoxy-1-(2-phenylethynyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.999327973 u |
| Formula | C15H11BrO |
| InChI | InChI=1S/C15H11BrO/c1-17-14-9-10-15(16)13(11-14)8-7-12-5-3-2-4-6-12/h2-6,9-11H,1H3 |
| InChIKey | KDMFLXRMFJDTDF-UHFFFAOYSA-N |
| SMILES | C(#CC=1C=CC=CC1)C=1C(=CC=C(C1)OC)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906545 |