| SpectraBase Compound ID | IvOjhbu48l5 |
|---|---|
| InChI | InChI=1S/C8H5Cl2F3/c9-7(10)5-2-1-3-6(4-5)8(11,12)13/h1-4,7H |
| InChIKey | YHSJPSUQWJNGQJ-UHFFFAOYSA-N |
| Mol Weight | 229.03 g/mol |
| Molecular Formula | C8H5Cl2F3 |
| Exact Mass | 227.97204 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4UwEiqLtcdj |
|---|---|
| Name | Benzene, 1-(dichloromethyl)-3-(trifluoromethyl)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.972040050 u |
| Formula | C8H5Cl2F3 |
| InChI | InChI=1S/C8H5Cl2F3/c9-7(10)5-2-1-3-6(4-5)8(11,12)13/h1-4,7H |
| InChIKey | YHSJPSUQWJNGQJ-UHFFFAOYSA-N |
| Molecular Weight | 229.029 g/mol |
| SMILES | C1=C(C=C(C=C1)C(Cl)Cl)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.756607 |