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(+)-(2S,3R,4S)-2-Benzyl-3,4-dimethyl-2-phenylcyclopentanone
SpectraBase Compound ID 1J0SVw8uwSa
InChI InChI=1S/C20H22O/c1-15-13-19(21)20(16(15)2,18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3/t15-,16+,20-/m0/s1
InChIKey PLNLIFDBVFVAML-YRNRMSPPSA-N
Mol Weight 278.39 g/mol
Molecular Formula C20H22O
Exact Mass 278.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID tZG74gkhKI
Name (+)-(2S,3R,4S)-2-Benzyl-3,4-dimethyl-2-phenylcyclopentanone
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Formula C20H22O
InChI InChI=1S/C20H22O/c1-15-13-19(21)20(16(15)2,18-11-7-4-8-12-18)14-17-9-5-3-6-10-17/h3-12,15-16H,13-14H2,1-2H3/t15-,16+,20-/m0/s1
InChIKey PLNLIFDBVFVAML-YRNRMSPPSA-N
Molecular Weight 278.395 g/mol
SMILES C1([C@@]([C@@]([C@](C1)(C)[H])(C)[H])(c1ccccc1)Cc1ccccc1)=O
SPLASH splash10-0007-6910000000-052bf260f187f583bde3
Source of Spectrum KD-15-651-12
Synonyms (2S,3R,4S)-2-benzyl-3,4-dimethyl-2-phenylcyclopentanone
Wiley ID 1636791