SpectraBase Compound ID | IGRelMrIumR |
---|---|
InChI | InChI=1S/C2Br6/c3-1(4,5)2(6,7)8 |
InChIKey | POJPQMDDRCILHJ-UHFFFAOYSA-N |
Mol Weight | 503.45 g/mol |
Molecular Formula | C2Br6 |
Exact Mass | 497.510028 g/mol |
SpectraBase Spectrum ID | 2pYudjn7tec |
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Name | Ethane, hexabromo- |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 497.510028000 u |
Formula | C2Br6 |
InChI | InChI=1S/C2Br6/c3-1(4,5)2(6,7)8 |
InChIKey | POJPQMDDRCILHJ-UHFFFAOYSA-N |
SMILES | C(Br)(Br)(Br)C(Br)(Br)Br |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.894213 |