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(1S,2S,3R)-2-(Hydroxymethyl)-1-cyclohexylbutane-1,3-diol
SpectraBase Compound ID 1vLHJRB7seZ
InChI InChI=1S/C11H22O3/c1-8(13)10(7-12)11(14)9-5-3-2-4-6-9/h8-14H,2-7H2,1H3/t8-,10+,11+/m1/s1
InChIKey XOEZLPAPPJMAAF-MIMYLULJSA-N
Mol Weight 202.29 g/mol
Molecular Formula C11H22O3
Exact Mass 202.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hwu0Je2smXT
Name (1S,2S,3R)-2-(Hydroxymethyl)-1-cyclohexylbutane-1,3-diol
Alternate Name(s) (1S,2S,3R)-1-cyclohexyl-2-(hydroxymethyl)-1,3-butanediol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H22O3
InChI InChI=1S/C11H22O3/c1-8(13)10(7-12)11(14)9-5-3-2-4-6-9/h8-14H,2-7H2,1H3/t8-,10+,11+/m1/s1
InChIKey XOEZLPAPPJMAAF-MIMYLULJSA-N
Molecular Weight 202.294 g/mol
SMILES O[C@]([C@@](CO)([C@](O)(C)[H])[H])(C1CCCCC1)[H]
SPLASH splash10-0avj-9300000000-51e0e9a8e48eb32f3d73
Source of Spectrum H-76-473-16
Wiley ID 1199757