| SpectraBase Compound ID | 2ki4q49BkIs |
|---|---|
| InChI | InChI=1S/C16H13Br/c1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16(15)17/h3-7,9,11H,1-2H3 |
| InChIKey | FLUPMHSJMIASRX-UHFFFAOYSA-N |
| Mol Weight | 285.18 g/mol |
| Molecular Formula | C16H13Br |
| Exact Mass | 284.020063 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6Chl8dCKyIp |
|---|---|
| Name | 1-(2'-Bromo-4'-methylphenyl)-2-(p-methylphenyl)-ethyne |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.020063419 u |
| Formula | C16H13Br |
| InChI | InChI=1S/C16H13Br/c1-12-3-6-14(7-4-12)8-10-15-9-5-13(2)11-16(15)17/h3-7,9,11H,1-2H3 |
| InChIKey | FLUPMHSJMIASRX-UHFFFAOYSA-N |
| SMILES | C(#CC1=CC=C(C=C1)C)C=1C(=CC(=CC1)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.814488 |