| SpectraBase Compound ID | G5l7IDY9C0c |
|---|---|
| InChI | InChI=1S/C9H4Br2F2/c10-6-3-1-5(2-4-6)7-8(11)9(7,12)13/h1-4H |
| InChIKey | SSZGGULIQZRGBT-UHFFFAOYSA-N |
| Mol Weight | 309.94 g/mol |
| Molecular Formula | C9H4Br2F2 |
| Exact Mass | 307.864782 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CIGJ6uV4gJl |
|---|---|
| Name | 1-Bromo-4-(2-bromo-3,3-difluorocycloprop-1-enyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.864782455 u |
| Formula | C9H4Br2F2 |
| InChI | InChI=1S/C9H4Br2F2/c10-6-3-1-5(2-4-6)7-8(11)9(7,12)13/h1-4H |
| InChIKey | SSZGGULIQZRGBT-UHFFFAOYSA-N |
| Molecular Weight | 309.936 g/mol |
| SMILES | C1=CC(C2=C(C2(F)F)Br)=CC=C1Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.896028 |