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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3nf8KBMAmDx
Name 3,5-Cyclohexadiene-1,2-diol, 4-bromo-, trans-(.+-.)-
CAS Registry Number 121073-22-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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 O[C@@]1(C=C(C=C[C@]1(O)[H])Br)[H]
SPLASH splash10-00kf-5900000000-b671c48cfd5e93931b17
Source of Spectrum F5-4-2216-8c
Synonyms (1R,2R)-4-bromo-3,5-cyclohexadiene-1,2-diol (1R,2R,)-4-Bromo-3,5-cyclohexadiene-1,2-diol trans-1,2-dihydroxy-1,2-dihydro-4-bromobenzene (1R,2R)-4-bromocyclohexa-3,5-diene-1,2-diol
Wiley ID 1732843