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(4R*,5S*,6R*)-4-tert-Butyl-4-hydroxy-5-methyl-6-phenyl-1-oxacyclohexan-2-one
SpectraBase Compound ID GKXWBYIovAv
InChI InChI=1S/C16H22O3/c1-11-14(12-8-6-5-7-9-12)19-13(17)10-16(11,18)15(2,3)4/h5-9,11,14,18H,10H2,1-4H3/t11-,14+,16+/m0/s1
InChIKey GYXFLSJEOVMCQK-SGIREYDYSA-N
Mol Weight 262.35 g/mol
Molecular Formula C16H22O3
Exact Mass 262.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DPFp76Ev52q
Name (4R*,5S*,6R*)-4-tert-Butyl-4-hydroxy-5-methyl-6-phenyl-1-oxacyclohexan-2-one
CAS Registry Number 136031-59-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22O3
InChI InChI=1S/C16H22O3/c1-11-14(12-8-6-5-7-9-12)19-13(17)10-16(11,18)15(2,3)4/h5-9,11,14,18H,10H2,1-4H3/t11-,14+,16+/m0/s1
InChIKey GYXFLSJEOVMCQK-SGIREYDYSA-N
Molecular Weight 262.349 g/mol
SMILES O[C@]1([C@]([C@](c2ccccc2)(OC(C1)=O)[H])(C)[H])C(C)(C)C
SPLASH splash10-05tb-7910000000-f72b4094ec8f2c820725
Source of Spectrum C-113-8043-2
Synonyms (4R,5S,6R)-4-tert-butyl-4-hydroxy-5-methyl-6-phenyloxan-2-one
Wiley ID 1266171