| SpectraBase Compound ID | a9WLKK6kbB |
|---|---|
| InChI | InChI=1S/C15H11Br/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,9H2 |
| InChIKey | ZRRAKOSOVDMEMK-UHFFFAOYSA-N |
| Mol Weight | 271.16 g/mol |
| Molecular Formula | C15H11Br |
| Exact Mass | 270.004413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2jjjL5Fjj2y |
|---|---|
| Name | 1-Bromo-2-(3-phenylprop-1-ynyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.004413354 u |
| Formula | C15H11Br |
| InChI | InChI=1S/C15H11Br/c16-15-12-5-4-10-14(15)11-6-9-13-7-2-1-3-8-13/h1-5,7-8,10,12H,9H2 |
| InChIKey | ZRRAKOSOVDMEMK-UHFFFAOYSA-N |
| SMILES | C1=CC(=C(C=C1)Br)C#CCC1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96148 |