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(1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-methylcyclopropyl-1-phenyl Ketone
SpectraBase Compound ID 8NxPgC3Z8uA
InChI InChI=1S/C13H16O2/c1-8-11(9(2)14)12(8)13(15)10-6-4-3-5-7-10/h3-9,11-12,14H,1-2H3/t8-,9+,11-,12+/m0/s1
InChIKey RGXYFKSGJPGYJP-BSJXLVFVSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IahZzJ53hVT
Name (1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-methylcyclopropyl-1-phenyl Ketone
Alternate Name(s) ((1R,2R,3S)-2-((R)-1-hydroxyethyl)-3-methylcyclopropyl)(phenyl)methanone [(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-methylcyclopropyl]-phenylmethanone [(1R,2S,3R)-2-methyl-3-[(1R)-1-oxidanylethyl]cyclopropyl]-phenyl-methanone
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Formula C13H16O2
InChI InChI=1S/C13H16O2/c1-8-11(9(2)14)12(8)13(15)10-6-4-3-5-7-10/h3-9,11-12,14H,1-2H3/t8-,9+,11-,12+/m0/s1
InChIKey RGXYFKSGJPGYJP-BSJXLVFVSA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 204.269 g/mol
SMILES O[C@@]([C@@]1([C@](C)([C@]1(C(=O)c1ccccc1)[H])[H])[H])(C)[H]
SPLASH splash10-0a4i-3900000000-e5d54b23789f8a21e3fc
Source of Spectrum J-78-12435-10a
Wiley ID 1747330