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(1R*,2R*,3S*,1'R*) Ethyl 2-(1-Hydroxyethyl)-3-(2,2-dimethylethyl)-1-methylethyl Ketone
SpectraBase Compound ID F4DgkmJc3hW
InChI InChI=1S/C13H24O2/c1-7(2)12(15)10-9(8(3)14)11(10)13(4,5)6/h7-11,14H,1-6H3/t8-,9+,10+,11+/m1/s1
InChIKey IZFWYRKTADSCBW-RCWTZXSCSA-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 AQl9fV10CdV
Name (1R*,2R*,3S*,1'R*) Ethyl 2-(1-Hydroxyethyl)-3-(2,2-dimethylethyl)-1-methylethyl Ketone
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Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-7(2)12(15)10-9(8(3)14)11(10)13(4,5)6/h7-11,14H,1-6H3/t8-,9+,10+,11+/m1/s1
InChIKey IZFWYRKTADSCBW-RCWTZXSCSA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 212.333 g/mol
SMILES O[C@@]([C@@]1([C@](C(C)(C)C)([C@]1(C(=O)C(C)C)[H])[H])[H])(C)[H]
SPLASH splash10-052f-9200000000-fa140a62251599b550ea
Source of Spectrum J-78-12436-11f
Synonyms 1-((1R,2S,3R)-2-(tert-butyl)-3-((R)-1-hydroxyethyl)cyclopropyl)-2-methylpropan-1-one 1-[(1R,2S,3R)-2-tert-butyl-3-[(1R)-1-hydroxyethyl]cyclopropyl]-2-methyl-1-propanone 1-[(1R,2S,3R)-2-tert-butyl-3-[(1R)-1-hydroxyethyl]cyclopropyl]-2-methylpropan-1-one 1-[(1R,2S,3R)-2-tert-butyl-3-[(1R)-1-oxidanylethyl]cyclopropyl]-2-methyl-propan-1-one
Wiley ID 1747338