| SpectraBase Compound ID | F0avZINbq1b |
|---|---|
| InChI | InChI=1S/C7H3F2I/c8-7(9)4-2-1-3-5(10)6(4)7/h1-3H |
| InChIKey | WTNKLVFBUROIAQ-UHFFFAOYSA-N |
| Mol Weight | 252.0 g/mol |
| Molecular Formula | C7H3F2I |
| Exact Mass | 251.924751 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AltzP6v6Yhl |
|---|---|
| Name | 1,1-Difluoro-2-iodo-1H-cyclopropabenzol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.924751423 u |
| Formula | C7H3F2I |
| InChI | InChI=1S/C7H3F2I/c8-7(9)4-2-1-3-5(10)6(4)7/h1-3H |
| InChIKey | WTNKLVFBUROIAQ-UHFFFAOYSA-N |
| Molecular Weight | 252.002 g/mol |
| SMILES | C1(F)(C=2C(I)=CC=CC12)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.831561 |