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(2R,3S)-2,3-dimethyl-1,4-diphenyl-butan-1-one
SpectraBase Compound ID K15apNlHoe6
InChI InChI=1S/C18H20O/c1-14(13-16-9-5-3-6-10-16)15(2)18(19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15+/m0/s1
InChIKey MFVUFHATUPURMW-LSDHHAIUSA-N
Mol Weight 252.36 g/mol
Molecular Formula C18H20O
Exact Mass 252.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C6FqVGWjt0
Name (2R,3S)-2,3-dimethyl-1,4-diphenyl-butan-1-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H20O
InChI InChI=1S/C18H20O/c1-14(13-16-9-5-3-6-10-16)15(2)18(19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3/t14-,15+/m0/s1
InChIKey MFVUFHATUPURMW-LSDHHAIUSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201601911
Molecular Weight 252.357 g/mol
Quality 102
Reported Formula C18H20O
SMILES C1(C[C@@]([C@@](C)(C(C2=CC=CC=C2)=O)[H])(C)[H])=CC=CC=C1
SPLASH splash10-053r-2900000000-f5b46b8d6f1a241f881e
Sample Comments dr = 10:90
Source of Spectrum QE-22-SM47-syn-6a (DOI: 10.1002/chem.201601911)
Wiley ID 1903539