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(1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-phenylcyclopropyl-1-phenyl Ketone
SpectraBase Compound ID yzBtvi9sr8
InChI InChI=1S/C18H18O2/c1-12(19)15-16(13-8-4-2-5-9-13)17(15)18(20)14-10-6-3-7-11-14/h2-12,15-17,19H,1H3/t12-,15-,16+,17+/m1/s1
InChIKey CGQKGBHAUCGJHE-VZEFYGNVSA-N
Mol Weight 266.34 g/mol
Molecular Formula C18H18O2
Exact Mass 266.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gu8m7Oz0iVV
Name (1R*,2R*,3S*,1'R*) 2-(1-Hydroxyethyl)-3-phenylcyclopropyl-1-phenyl Ketone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18O2
InChI InChI=1S/C18H18O2/c1-12(19)15-16(13-8-4-2-5-9-13)17(15)18(20)14-10-6-3-7-11-14/h2-12,15-17,19H,1H3/t12-,15-,16+,17+/m1/s1
InChIKey CGQKGBHAUCGJHE-VZEFYGNVSA-N
Literature Reference DOI 10.1021/jo402075d
Molecular Weight 266.340 g/mol
SMILES O[C@@]([C@]1([C@@]([C@]1(c1ccccc1)[H])(C(c1ccccc1)=O)[H])[H])(C)[H]
SPLASH splash10-0600-5590000000-15448d294178d6eb33a9
Source of Spectrum J-78-12435-10e
Synonyms ((1R,2R,3S)-2-((R)-1-hydroxyethyl)-3-phenylcyclopropyl)(phenyl)methanone [(1R,2R,3S)-2-[(1R)-1-hydroxyethyl]-3-phenylcyclopropyl]-phenylmethanone [(1R,2R,3S)-2-[(1R)-1-oxidanylethyl]-3-phenyl-cyclopropyl]-phenyl-methanone
Wiley ID 1747334