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(1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-butylcyclopropyl-1-(methylethyl) Ketone
SpectraBase Compound ID KfvfaIqDJB4
InChI InChI=1S/C13H24O2/c1-5-6-7-10-11(9(4)14)12(10)13(15)8(2)3/h8-12,14H,5-7H2,1-4H3/t9-,10+,11-,12-/m1/s1
InChIKey QKQHRYCECGXHQM-WRWGMCAJSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ejDVqK1I0U
Name (1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-butylcyclopropyl-1-(methylethyl) Ketone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-5-6-7-10-11(9(4)14)12(10)13(15)8(2)3/h8-12,14H,5-7H2,1-4H3/t9-,10+,11-,12-/m1/s1
InChIKey QKQHRYCECGXHQM-WRWGMCAJSA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 212.333 g/mol
SMILES O[C@@]([C@@]1([C@](CCCC)([C@]1(C(=O)C(C)C)[H])[H])[H])(C)[H]
SPLASH splash10-066r-7900000000-6f81f1e7f9c1bd14edae
Source of Spectrum J-78-12435-11c
Synonyms 1-((1R,2S,3R)-2-butyl-3-((R)-1-hydroxyethyl)cyclopropyl)-2-methylpropan-1-one 1-[(1R,2S,3R)-2-butyl-3-[(1R)-1-hydroxyethyl]cyclopropyl]-2-methyl-1-propanone 1-[(1R,2S,3R)-2-butyl-3-[(1R)-1-hydroxyethyl]cyclopropyl]-2-methylpropan-1-one 1-[(1R,2S,3R)-2-butyl-3-[(1R)-1-oxidanylethyl]cyclopropyl]-2-methyl-propan-1-one
Wiley ID 1747335