SpectraBase Compound ID | 8LoCS6tLni3 |
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InChI | InChI=1S/C6Br2F4/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
InChIKey | IPLUWQPTPKNBRD-UHFFFAOYSA-N |
Mol Weight | 307.87 g/mol |
Molecular Formula | C6Br2F4 |
Exact Mass | 305.830289 g/mol |
SpectraBase Spectrum ID | 9Xa38xf05UU |
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Name | 1,2-Dibromo-3,4,5,6-tetrafluorobenzene |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 305.830288652 u |
Formula | C6Br2F4 |
InChI | InChI=1S/C6Br2F4/c7-1-2(8)4(10)6(12)5(11)3(1)9 |
InChIKey | IPLUWQPTPKNBRD-UHFFFAOYSA-N |
Molecular Weight | 307.868 g/mol |
SMILES | C=1(F)C(=C(C(=C(C1Br)Br)F)F)F |
Spectrum/Structure Validation Score (Raman) | 0.775253 |