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(2S,4S)-1-(4-tert-Butylphenyl)-2,4-dihydroxy-2,4-dimethylhexan-3-one
SpectraBase Compound ID ANDNo8mnIUt
InChI InChI=1S/C18H28O3/c1-7-17(5,20)15(19)18(6,21)12-13-8-10-14(11-9-13)16(2,3)4/h8-11,20-21H,7,12H2,1-6H3/t17-,18-/m0/s1
InChIKey NGKRNEXHLFGZBP-ROUUACIJSA-N
Mol Weight 292.42 g/mol
Molecular Formula C18H28O3
Exact Mass 292.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BH2CZtH3w21
Name (2S,4S)-1-(4-tert-Butylphenyl)-2,4-dihydroxy-2,4-dimethylhexan-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28O3
InChI InChI=1S/C18H28O3/c1-7-17(5,20)15(19)18(6,21)12-13-8-10-14(11-9-13)16(2,3)4/h8-11,20-21H,7,12H2,1-6H3/t17-,18-/m0/s1
InChIKey NGKRNEXHLFGZBP-ROUUACIJSA-N
Molecular Weight 292.419 g/mol
SMILES O[C@](C([C@@](O)(CC)C)=O)(Cc1ccc(C(C)(C)C)cc1)C
SPLASH splash10-000i-3900000000-7d6d4714076c68ac2992
Source of Spectrum F4-0-3525-4
Synonyms 1-(4-tert-butylphenyl)-1,5-dideoxy-4-C-ethyl-2-C-methyl-D-erythro-pent-3-ulose
Wiley ID 1619199