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1,2-Cyclohexanediol, 3-bromo-1-ethynyl-, (1.alpha.,2.alpha.,3.beta.)-
SpectraBase Compound ID L5Hm7PTpRNk
InChI InChI=1S/C8H11BrO2/c1-2-8(11)5-3-4-6(9)7(8)10/h1,6-7,10-11H,3-5H2/t6-,7+,8+/m0/s1
InChIKey DRTMGPYSOKPKKY-XLPZGREQSA-N
Mol Weight 219.08 g/mol
Molecular Formula C8H11BrO2
Exact Mass 217.994243 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6MGLCrvCcBy
Name 1,2-Cyclohexanediol, 3-bromo-1-ethynyl-, (1.alpha.,2.alpha.,3.beta.)-
CAS Registry Number 89782-50-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H11BrO2
InChI InChI=1S/C8H11BrO2/c1-2-8(11)5-3-4-6(9)7(8)10/h1,6-7,10-11H,3-5H2/t6-,7+,8+/m0/s1
InChIKey DRTMGPYSOKPKKY-XLPZGREQSA-N
Molecular Weight 219.078 g/mol
SMILES O[C@]1([C@@](C#C)(CCC[C@@]1(Br)[H])O)[H]
SPLASH splash10-00dl-9100000000-f592446621c7e503f2ea
Source of Spectrum AC-1983-243-0
Synonyms (1S,2S,3S)-3-bromo-1-ethynyl-1,2-cyclohexanediol 3t-bromo-1-ethynyl-1c,2R-cyclohexanediol
Wiley ID 1217011