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(5R,6S/5S,6R)-2,2-Dimethyl-5,6-diphenylheptane-3-one
SpectraBase Compound ID 2uwN2QOBLQ7
InChI InChI=1S/C21H26O/c1-16(17-11-7-5-8-12-17)19(15-20(22)21(2,3)4)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t16-,19-/m0/s1
InChIKey APVRPSSIBXFNJV-LPHOPBHVSA-N
Mol Weight 294.44 g/mol
Molecular Formula C21H26O
Exact Mass 294.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHexbUja8QW
Name (5R,6S/5S,6R)-2,2-Dimethyl-5,6-diphenylheptane-3-one
Alternate Name(s) (5S,6R)-2,2-dimethyl-5,6-diphenyl-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H26O
InChI InChI=1S/C21H26O/c1-16(17-11-7-5-8-12-17)19(15-20(22)21(2,3)4)18-13-9-6-10-14-18/h5-14,16,19H,15H2,1-4H3/t16-,19-/m0/s1
InChIKey APVRPSSIBXFNJV-LPHOPBHVSA-N
Molecular Weight 294.438 g/mol
SMILES [C@@](CC(C(C)(C)C)=O)([C@](c1ccccc1)(C)[H])(c1ccccc1)[H]
SPLASH splash10-0a4l-9700000000-07b90a2dd90aa91799b7
Source of Spectrum KC-0-469-10
Wiley ID 820614