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(1R*,2S*,3R*)-2-Acetoxy-3-butylylcyclohexanol
SpectraBase Compound ID CttpXMfioNS
InChI InChI=1S/C12H22O3/c1-3-4-6-10-7-5-8-11(14)12(10)15-9(2)13/h10-12,14H,3-8H2,1-2H3/t10-,11-,12+/m1/s1
InChIKey QYUWYKKAOJVFGJ-UTUOFQBUSA-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 IHJASBi9MWg
Name (1R*,2S*,3R*)-2-Acetoxy-3-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(14)12(10)15-9(2)13/h10-12,14H,3-8H2,1-2H3/t10-,11-,12+/m1/s1
InChIKey QYUWYKKAOJVFGJ-UTUOFQBUSA-N
Molecular Weight 214.305 g/mol
SMILES O[C@]1([C@@](OC(=O)C)([C@@](CCC1)(CCCC)[H])[H])[H]
SPLASH splash10-0002-9100000000-30ece74a42ba8a995179
Source of Spectrum J-57-5034-7
Synonyms (1S,2R,6R)-2-butyl-6-hydroxycyclohexyl acetate
Wiley ID 1213650