SpectraBase Compound ID | HprcXfL3uOf |
---|---|
InChI | InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3 |
InChIKey | POMGTQLCZJZYAM-UHFFFAOYSA-N |
Mol Weight | 164.1 g/mol |
Molecular Formula | C7H4F4 |
Exact Mass | 164.024913 g/mol |
SpectraBase Spectrum ID | GeB5EBdkPIT |
---|---|
Name | 2,3,5,6-Tetrafluorotoluene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 164.024912781 u |
Formula | C7H4F4 |
InChI | InChI=1S/C7H4F4/c1-3-6(10)4(8)2-5(9)7(3)11/h2H,1H3 |
InChIKey | POMGTQLCZJZYAM-UHFFFAOYSA-N |
Molecular Weight | 164.103 g/mol |
SMILES | C=1(C)C(F)=C(F)C=C(C1F)F |
Spectrum/Structure Validation Score (Raman) | 0.860492 |