| SpectraBase Compound ID | H8kd2sKMhL8 |
|---|---|
| InChI | InChI=1S/C8H6BrF3/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3 |
| InChIKey | TWWUWLMGYSLODU-UHFFFAOYSA-N |
| Mol Weight | 239.04 g/mol |
| Molecular Formula | C8H6BrF3 |
| Exact Mass | 237.960498 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 | 4tB83UA4F9B |
|---|---|
| Name | 3-Bromo-4-methylbenzotrifluoride |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.960497682 u |
| Formula | C8H6BrF3 |
| InChI | InChI=1S/C8H6BrF3/c1-5-2-3-6(4-7(5)9)8(10,11)12/h2-4H,1H3 |
| InChIKey | TWWUWLMGYSLODU-UHFFFAOYSA-N |
| Molecular Weight | 239.035 g/mol |
| SMILES | C(C=1C=C(Br)C(=CC1)C)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.925952 |