SpectraBase Compound ID | DuvmmDH5Ovv |
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InChI | InChI=1S/C4H5Br3/c5-2-3-1-4(3,6)7/h3H,1-2H2 |
InChIKey | VXCHFAPAUYJKPF-UHFFFAOYSA-N |
Mol Weight | 292.8 g/mol |
Molecular Formula | C4H5Br3 |
Exact Mass | 289.794139 g/mol |
SpectraBase Spectrum ID | GvolexFYZgI |
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Name | Cyclopropane, 1,1-dibromo-2-bromomethyl- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 289.794139161 u |
Formula | C4H5Br3 |
InChI | InChI=1S/C4H5Br3/c5-2-3-1-4(3,6)7/h3H,1-2H2 |
InChIKey | VXCHFAPAUYJKPF-UHFFFAOYSA-N |
Molecular Weight | 292.796 g/mol |
SMILES | C1C(CBr)C1(Br)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.808863 |