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(2R,3S,4S,5R)-4-benzoyl-5-tert-butyl-2,3-dimethyl-1-cyclohexanone
SpectraBase Compound ID ASXgq71mA02
InChI InChI=1S/C19H26O2/c1-12-13(2)17(15(11-16(12)20)19(3,4)5)18(21)14-9-7-6-8-10-14/h6-10,12-13,15,17H,11H2,1-5H3/t12-,13+,15-,17+/m1/s1
InChIKey NSNZHKMRNHGDED-CXUGXGMPSA-N
Mol Weight 286.41 g/mol
Molecular Formula C19H26O2
Exact Mass 286.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LYcfPaDIkyB
Name (2R,3S,4S,5R)-4-benzoyl-5-tert-butyl-2,3-dimethyl-1-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O2
InChI InChI=1S/C19H26O2/c1-12-13(2)17(15(11-16(12)20)19(3,4)5)18(21)14-9-7-6-8-10-14/h6-10,12-13,15,17H,11H2,1-5H3/t12-,13+,15-,17+/m1/s1
InChIKey NSNZHKMRNHGDED-CXUGXGMPSA-N
Molecular Weight 286.415 g/mol
SMILES [C@@]1([C@@](CC([C@@]([C@@]1(C)[H])(C)[H])=O)(C(C)(C)C)[H])(C(=O)c1ccccc1)[H]
SPLASH splash10-00e9-0960000000-4df88fb411e9354d9ffe
Source of Spectrum AJ-64-3000-9
Synonyms (2R,3S,4S,5R)-4-benzoyl-5-tert-butyl-2,3-dimethyl-cyclohexanone (2R,3S,4S,5R)-4-benzoyl-5-tert-butyl-2,3-dimethylcyclohexan-1-one (2R,3S,4S,5R)-5-tert-butyl-2,3-dimethyl-4-(phenylcarbonyl)cyclohexan-1-one
Wiley ID 1290301