| SpectraBase Compound ID | DFvPMB9iE9k |
|---|---|
| InChI | InChI=1S/C9H4BrClF2/c10-9(12,13)6-5-7-1-3-8(11)4-2-7/h1-4H |
| InChIKey | VLVIYFUKTPLGML-UHFFFAOYSA-N |
| Mol Weight | 265.48 g/mol |
| Molecular Formula | C9H4BrClF2 |
| Exact Mass | 263.915297 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 | 8JMjwfBOtF0 |
|---|---|
| Name | 1-(3-Bromo-3,3-difluoroprop-1-ynyl)-4-chlorobenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.915297155 u |
| Formula | C9H4BrClF2 |
| InChI | InChI=1S/C9H4BrClF2/c10-9(12,13)6-5-7-1-3-8(11)4-2-7/h1-4H |
| InChIKey | VLVIYFUKTPLGML-UHFFFAOYSA-N |
| Molecular Weight | 265.485 g/mol |
| SMILES | C=1(C=CC(=CC1)C#CC(Br)(F)F)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.895898 |