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(1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-(1-methylethyl)-cyclopropyl-1-methylethyl Ketone
SpectraBase Compound ID DjDFjK0uYnU
InChI InChI=1S/C12H22O2/c1-6(2)9-10(8(5)13)11(9)12(14)7(3)4/h6-11,13H,1-5H3/t8-,9+,10-,11-/m1/s1
InChIKey GVHBFWXXZHUGHW-LMLFDSFASA-N
Mol Weight 198.31 g/mol
Molecular Formula C12H22O2
Exact Mass 198.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 51DEGOz6sy
Name (1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-(1-methylethyl)-cyclopropyl-1-methylethyl Ketone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H22O2
InChI InChI=1S/C12H22O2/c1-6(2)9-10(8(5)13)11(9)12(14)7(3)4/h6-11,13H,1-5H3/t8-,9+,10-,11-/m1/s1
InChIKey GVHBFWXXZHUGHW-LMLFDSFASA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 198.306 g/mol
SMILES O[C@](C)([C@@]1([C@](C(C)C)([C@]1(C(=O)C(C)C)[H])[H])[H])[H]
SPLASH splash10-0kft-9300000000-4aee909979cc728bc833
Source of Spectrum J-78-12435-11d
Synonyms 1-((1R,2R,3S)-2-((R)-1-hydroxyethyl)-3-isopropylcyclopropyl)-2-methylpropan-1-one 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-propan-2-ylcyclopropyl]-2-methyl-1-propanone 1-[(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-propan-2-ylcyclopropyl]-2-methylpropan-1-one 2-Methyl-1-[(1R,2R,3S)-2-[(1R)-1-oxidanylethyl]-3-propan-2-yl-cyclopropyl]propan-1-one
Wiley ID 1747336