SpectraBase Compound ID | CZpE2zGf0T8 |
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InChI | InChI=1S/C8H8Br2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,8H,1H3 |
InChIKey | JFCIOYXEHZUIHD-UHFFFAOYSA-N |
Mol Weight | 263.96 g/mol |
Molecular Formula | C8H8Br2 |
Exact Mass | 261.899276 g/mol |
SpectraBase Spectrum ID | HHeA7Odj3C6 |
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Name | alpha,alpha-Dibromo-m-xylene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 261.899276258 u |
Formula | C8H8Br2 |
InChI | InChI=1S/C8H8Br2/c1-6-3-2-4-7(5-6)8(9)10/h2-5,8H,1H3 |
InChIKey | JFCIOYXEHZUIHD-UHFFFAOYSA-N |
SMILES | C=1C(=CC=CC1C)C(Br)Br |
Spectrum/Structure Validation Score (Raman) | 0.784201 |