| SpectraBase Compound ID | 5IToEFtjn9k |
|---|---|
| InChI | InChI=1S/C15H11Br/c1-12-6-2-3-7-13(12)10-11-14-8-4-5-9-15(14)16/h2-9H,1H3 |
| InChIKey | ZKFHJNQABXTPGO-UHFFFAOYSA-N |
| Mol Weight | 271.16 g/mol |
| Molecular Formula | C15H11Br |
| Exact Mass | 270.004413 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | BChKyO56S8e |
|---|---|
| Name | 1-Bromo-2-(o-tolylethynyl)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/c1-12-6-2-3-7-13(12)10-11-14-8-4-5-9-15(14)16/h2-9H,1H3 |
| InChIKey | ZKFHJNQABXTPGO-UHFFFAOYSA-N |
| SMILES | C=1C=C(C#CC2=CC=CC=C2C)C(Br)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950148 |