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(2S,3S)-2-Hydroxy-6-isopropyl-3-methylcyclohex-5-ene-1,4-dione
SpectraBase Compound ID H5SXQcAHYBk
InChI InChI=1S/C10H14O3/c1-5(2)7-4-8(11)6(3)9(12)10(7)13/h4-6,9,12H,1-3H3/t6-,9+/m1/s1
InChIKey ZYSSKCIBUWFDKU-MUWHJKNJSA-N
Mol Weight 182.22 g/mol
Molecular Formula C10H14O3
Exact Mass 182.094294 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47VJJFkX4ny
Name (2S,3S)-2-Hydroxy-6-isopropyl-3-methylcyclohex-5-ene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14O3
InChI InChI=1S/C10H14O3/c1-5(2)7-4-8(11)6(3)9(12)10(7)13/h4-6,9,12H,1-3H3/t6-,9+/m1/s1
InChIKey ZYSSKCIBUWFDKU-MUWHJKNJSA-N
Molecular Weight 182.219 g/mol
SMILES O[C@@]1(C(C(=CC([C@]1(C)[H])=O)C(C)C)=O)[H]
SPLASH splash10-00di-3900000000-9b4cb73bfbcf040742c5
Source of Spectrum AT-32-5444-13
Synonyms (5S,6S)-6-hydroxy-2-isopropyl-5-methyl-2-cyclohexene-1,4-dione trans-2-Hydroxy-6-isopropyl-3-methylcyclohex-5-ene-1,4-dione
Wiley ID 836093