| SpectraBase Compound ID | LTaq8yOe1Bz |
|---|---|
| InChI | InChI=1S/C8H3F6I/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H |
| InChIKey | VDPIZIZDKPFXLI-UHFFFAOYSA-N |
| Mol Weight | 340.01 g/mol |
| Molecular Formula | C8H3F6I |
| Exact Mass | 339.918364 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 70KxGCyB9fY |
|---|---|
| Name | 1,3-bis-(Trifluoromethyl)-5-iodo-benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 339.918364075 u |
| Formula | C8H3F6I |
| InChI | InChI=1S/C8H3F6I/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3H |
| InChIKey | VDPIZIZDKPFXLI-UHFFFAOYSA-N |
| Molecular Weight | 340.007 g/mol |
| SMILES | C(F)(F)(F)C1=CC(C(F)(F)F)=CC(I)=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.930711 |