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3,5-Cyclohexadiene-1,2-diol, 4-bromo-, trans-(.+-.)-

View entire compound with spectra: 1 FTIR, and 2 MS (GC)

3,5-Cyclohexadiene-1,2-diol, 4-bromo-, trans-(.+-.)-
SpectraBase Compound ID CP9cL6G6mGZ
InChI InChI=1S/C6H7BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H/t5-,6-/m1/s1
InChIKey MWJZOLXUCNEWFL-PHDIDXHHSA-N
Mol Weight 191.02 g/mol
Molecular Formula C6H7BrO2
Exact Mass 189.962942 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7kW57M6UKkk
Name 3,5-Cyclohexadiene-1,2-diol, 4-bromo-, trans-(.+-.)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 189.962942463 u
Formula C6H7BrO2
InChI InChI=1S/C6H7BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,5-6,8-9H/t5-,6-/m1/s1
InChIKey MWJZOLXUCNEWFL-PHDIDXHHSA-N
Molecular Weight 191.024 g/mol
SMILES C1=C(C=C[C@]([C@@]1(O)[H])(O)[H])Br
Spectrum/Structure Validation Score (Vapor Phase IR) 0.868513