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2-[(1S,2S,3S,4R)-3-(4-Bromophenyl)-2,4-bis(hydroxymethyl)cyclohexyl]ethanol
SpectraBase Compound ID DTS9S6fC3Hb
InChI InChI=1S/C16H23BrO3/c17-14-5-3-12(4-6-14)16-13(9-19)2-1-11(7-8-18)15(16)10-20/h3-6,11,13,15-16,18-20H,1-2,7-10H2/t11-,13-,15-,16-/m0/s1
InChIKey JGTKYJOGKQFNCL-MZGVZZPPSA-N
Mol Weight 343.26 g/mol
Molecular Formula C16H23BrO3
Exact Mass 342.083058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TlmytnkxM
Name 2-[(1S,2S,3S,4R)-3-(4-Bromophenyl)-2,4-bis(hydroxymethyl)cyclohexyl]ethanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H23BrO3
InChI InChI=1S/C16H23BrO3/c17-14-5-3-12(4-6-14)16-13(9-19)2-1-11(7-8-18)15(16)10-20/h3-6,11,13,15-16,18-20H,1-2,7-10H2/t11-,13-,15-,16-/m0/s1
InChIKey JGTKYJOGKQFNCL-MZGVZZPPSA-N
Molecular Weight 343.261 g/mol
SMILES OCC[C@@]1(CC[C@]([C@@]([C@]1(CO)[H])(c1ccc(cc1)Br)[H])(CO)[H])[H]
SPLASH splash10-0104-2911000000-28e0604e8e4b98d7d89f
Source of Spectrum F4-43-1892-4
Wiley ID 1675682