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(1S,2R)-4-Bromo-3-cyclohexene-1,2-diol
SpectraBase Compound ID GOOxmZlpmXE
InChI InChI=1S/C6H9BrO2/c7-4-1-2-5(8)6(9)3-4/h3,5-6,8-9H,1-2H2/t5-,6+/m0/s1
InChIKey LHODWCNVZJCSBX-NTSWFWBYSA-N
Mol Weight 193.04 g/mol
Molecular Formula C6H9BrO2
Exact Mass 191.978593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1dHrzMjSgSe
Name (1S,2R)-4-Bromo-3-cyclohexene-1,2-diol
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H9BrO2
InChI InChI=1S/C6H9BrO2/c7-4-1-2-5(8)6(9)3-4/h3,5-6,8-9H,1-2H2/t5-,6+/m0/s1
InChIKey LHODWCNVZJCSBX-NTSWFWBYSA-N
Instrument Name AUTOSPEC or Kratos Analytical Concept ISQ
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0005.a07
Molecular Weight 193.040 g/mol
Optical Rotation [a]D = -65.6 (c = 0.8)
SMILES O[C@@]1(C=C(CC[C@@]1(O)[H])Br)[H]
SPLASH splash10-0i01-4900000000-3be8e028c7f2459cfcf8
Source of Spectrum ARK-2004-59-10
Thin-Layer Chromatography Rf = 0.3 (ethyl acetate/hexane, 7:3)
Wiley ID 1875772