| SpectraBase Compound ID | C3ldlMQgGuX |
|---|---|
| InChI | InChI=1S/C8H6F3I/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,1H3 |
| InChIKey | ZRLVXVHZQHJOQQ-UHFFFAOYSA-N |
| Mol Weight | 286.04 g/mol |
| Molecular Formula | C8H6F3I |
| Exact Mass | 285.94663 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | JNPqu3RA7OZ |
|---|---|
| Name | 2-Iodo-1-methyl-4-(trifluoromethyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.946629682 u |
| Formula | C8H6F3I |
| InChI | InChI=1S/C8H6F3I/c1-5-2-3-6(4-7(5)12)8(9,10)11/h2-4H,1H3 |
| InChIKey | ZRLVXVHZQHJOQQ-UHFFFAOYSA-N |
| Molecular Weight | 286.036 g/mol |
| SMILES | C1(=C(C=C(C=C1)C(F)(F)F)I)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.890742 |