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2-Cyclohexen-1-one, 4-[(acetyloxy)methyl]-4-hydroxy-3,5,5-trimethyl-, (S)-
SpectraBase Compound ID 3JFGnhQvrNu
InChI InChI=1S/C12H18O4/c1-8-5-10(14)6-11(3,4)12(8,15)7-16-9(2)13/h5,15H,6-7H2,1-4H3/t12-/m1/s1
InChIKey ZUTFFEMZHGZNEJ-GFCCVEGCSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9NYOrFJSoZ
Name 2-Cyclohexen-1-one, 4-[(acetyloxy)methyl]-4-hydroxy-3,5,5-trimethyl-, (S)-
Alternate Name(s) (S)-3,5,5-trimethyl-4-acetoxymethyl-4-hydroxy-2-cyclohexen-1-one [(1S)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]methyl acetate
CAS Registry Number 122346-78-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-8-5-10(14)6-11(3,4)12(8,15)7-16-9(2)13/h5,15H,6-7H2,1-4H3/t12-/m1/s1
InChIKey ZUTFFEMZHGZNEJ-GFCCVEGCSA-N
Molecular Weight 226.272 g/mol
SMILES O[C@@]1(C(=CC(CC1(C)C)=O)C)COC(=O)C
SPLASH splash10-11r9-1900000000-2e8da19ab9802308340a
Source of Spectrum H-71-944-19
Wiley ID 1227298