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3-((4-Bromophenyl)(hydroxy)methyl)cyclohexane-1,2-diol
SpectraBase Compound ID BN1PEpyvm9Z
InChI InChI=1S/C13H17BrO3/c14-9-6-4-8(5-7-9)12(16)10-2-1-3-11(15)13(10)17/h4-7,10-13,15-17H,1-3H2/t10-,11-,12+,13?/m0/s1
InChIKey LSSLXPLCDHSGQP-ACJTYDJDSA-N
Mol Weight 301.18 g/mol
Molecular Formula C13H17BrO3
Exact Mass 300.036107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3r9hWqIxEmn
Name 3-((4-Bromophenyl)(hydroxy)methyl)cyclohexane-1,2-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17BrO3
InChI InChI=1S/C13H17BrO3/c14-9-6-4-8(5-7-9)12(16)10-2-1-3-11(15)13(10)17/h4-7,10-13,15-17H,1-3H2/t10-,11-,12+,13?/m0/s1
InChIKey LSSLXPLCDHSGQP-ACJTYDJDSA-N
Literature Reference DOI 10.1021/ol403692k
Molecular Weight 301.180 g/mol
SMILES O[C@@]([C@]1(C([C@](CCC1)(O)[H])O)[H])(c1ccc(cc1)Br)[H]
SPLASH splash10-004s-9400000000-057236dcb8a67e656cd4
Source of Spectrum A1-16-956/SM19-12
Synonyms (1S,3S)-3-((S)-(4-bromophenyl)(hydroxy)methyl)cyclohexane-1,2-diol
Wiley ID 1747756