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1,2-Dibromo-3,5-bis-trifluoromethylbenzene

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1,2-Dibromo-3,5-bis-trifluoromethylbenzene
SpectraBase Compound ID 7G0AcnJU9yO
InChI InChI=1S/C8H2Br2F6/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14,15)16/h1-2H
InChIKey VFUGWIZUGKDDKV-UHFFFAOYSA-N
Mol Weight 371.9 g/mol
Molecular Formula C8H2Br2F6
Exact Mass 369.842745 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BOAeebAiCkh
Name 1,2-Dibromo-3,5-bis-trifluoromethylbenzene
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.842745042 u
Formula C8H2Br2F6
InChI InChI=1S/C8H2Br2F6/c9-5-2-3(7(11,12)13)1-4(6(5)10)8(14,15)16/h1-2H
InChIKey VFUGWIZUGKDDKV-UHFFFAOYSA-N
Molecular Weight 371.902 g/mol
SMILES C1=C(C=C(C(=C1Br)Br)C(F)(F)F)C(F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960371