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(1R*,2S*,6R*)-2-Acetoxy-6-butylylcyclohexanol
SpectraBase Compound ID KoQW3BaNIVZ
InChI InChI=1S/C12H22O3/c1-3-4-6-10-7-5-8-11(12(10)14)15-9(2)13/h10-12,14H,3-8H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey NQFKAECXCLPRTI-GRYCIOLGSA-N
Mol Weight 214.3 g/mol
Molecular Formula C12H22O3
Exact Mass 214.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AW08weiGGJT
Name (1R*,2S*,6R*)-2-Acetoxy-6-butylylcyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O3
InChI InChI=1S/C12H22O3/c1-3-4-6-10-7-5-8-11(12(10)14)15-9(2)13/h10-12,14H,3-8H2,1-2H3/t10-,11+,12-/m1/s1
InChIKey NQFKAECXCLPRTI-GRYCIOLGSA-N
Molecular Weight 214.305 g/mol
SMILES O[C@]1([C@@](OC(=O)C)(CCC[C@]1(CCCC)[H])[H])[H]
SPLASH splash10-000i-2900000000-d96322929257440dcf32
Source of Spectrum J-57-5034-7
Synonyms (1S,2R,3R)-3-butyl-2-hydroxycyclohexyl acetate
Wiley ID 1213651