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(2S,3S)-2,3-dihydroxy-3,5,5-trimethyl-1-cyclohexanone
SpectraBase Compound ID KiPs8s13V6v
InChI InChI=1S/C9H16O3/c1-8(2)4-6(10)7(11)9(3,12)5-8/h7,11-12H,4-5H2,1-3H3/t7-,9+/m1/s1
InChIKey HLFBQJZSRVDIQI-APPZFPTMSA-N
Mol Weight 172.22 g/mol
Molecular Formula C9H16O3
Exact Mass 172.109944 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HFAakr4EUX6
Name (2S,3S)-2,3-dihydroxy-3,5,5-trimethyl-1-cyclohexanone
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H16O3
InChI InChI=1S/C9H16O3/c1-8(2)4-6(10)7(11)9(3,12)5-8/h7,11-12H,4-5H2,1-3H3/t7-,9+/m1/s1
InChIKey HLFBQJZSRVDIQI-APPZFPTMSA-N
Molecular Weight 172.224 g/mol
SMILES O[C@]1([C@](CC(CC1=O)(C)C)(O)C)[H]
SPLASH splash10-0006-9300000000-1d83ce4c5c1eea55546e
Source of Spectrum QE-2-55-32
Synonyms (2S,3S)-2,3-dihydroxy-3,5,5-trimethyl-cyclohexanone (2S,3S)-2,3-dihydroxy-3,5,5-trimethylcyclohexan-1-one (2S,3S)-3,5,5-trimethyl-2,3-bis(oxidanyl)cyclohexan-1-one
Wiley ID 842576