| SpectraBase Compound ID | 913rZbfMgfx |
|---|---|
| InChI | InChI=1S/C8H3BrF3NO/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3H |
| InChIKey | PQPKERBGCBHRJO-UHFFFAOYSA-N |
| Mol Weight | 266.02 g/mol |
| Molecular Formula | C8H3BrF3NO |
| Exact Mass | 264.935011 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 | 1QtT2eqzpaB |
|---|---|
| Name | 3-Bromo-5-(trifluoromethoxy)benzenecarbonitrile |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.935011209 u |
| Formula | C8H3BrF3NO |
| InChI | InChI=1S/C8H3BrF3NO/c9-6-1-5(4-13)2-7(3-6)14-8(10,11)12/h1-3H |
| InChIKey | PQPKERBGCBHRJO-UHFFFAOYSA-N |
| Molecular Weight | 266.017 g/mol |
| SMILES | C(F)(F)(F)OC1=CC(=CC(=C1)C#N)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868561 |