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(3S,5S)-3,5-Dihydroxy-3,5-dimethylheptan-4-one
SpectraBase Compound ID KniSPa1R9Yt
InChI InChI=1S/C9H18O3/c1-5-8(3,11)7(10)9(4,12)6-2/h11-12H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKey QEFJXRCRDXVKKJ-IUCAKERBSA-N
Mol Weight 174.24 g/mol
Molecular Formula C9H18O3
Exact Mass 174.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4tyx47cnAi3
Name (3S,5S)-3,5-Dihydroxy-3,5-dimethylheptan-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H18O3
InChI InChI=1S/C9H18O3/c1-5-8(3,11)7(10)9(4,12)6-2/h11-12H,5-6H2,1-4H3/t8-,9-/m0/s1
InChIKey QEFJXRCRDXVKKJ-IUCAKERBSA-N
Molecular Weight 174.240 g/mol
SMILES O[C@](C([C@@](O)(CC)C)=O)(CC)C
SPLASH splash10-00di-9000000000-5c6718900b61bd92234f
Source of Spectrum F4-0-3524-4
Synonyms 1,5-Dideoxy-2,4-di-C-ethyl-D-threo-pent-3-ulose
Wiley ID 1619201