| SpectraBase Compound ID | BNHhQTUpvT6 |
|---|---|
| InChI | InChI=1S/C7H3Cl3F2/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3H |
| InChIKey | YGARWFJIRLUUNE-UHFFFAOYSA-N |
| Mol Weight | 231.46 g/mol |
| Molecular Formula | C7H3Cl3F2 |
| Exact Mass | 229.92684 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 | 1n3NvhDwuSY |
|---|---|
| Name | 1,3-Difluoro-2-trichloromethylbenzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.926839523 u |
| Formula | C7H3Cl3F2 |
| InChI | InChI=1S/C7H3Cl3F2/c8-7(9,10)6-4(11)2-1-3-5(6)12/h1-3H |
| InChIKey | YGARWFJIRLUUNE-UHFFFAOYSA-N |
| Molecular Weight | 231.457 g/mol |
| SMILES | C1(=C(C(=CC=C1)F)C(Cl)(Cl)Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802606 |