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(S)-4-(Hydroxymethyl)-2,4-dimethyl-3-(1-methylethoxy)-2-cyclohexenone
SpectraBase Compound ID GxKleokJTH3
InChI InChI=1S/C12H20O3/c1-8(2)15-11-9(3)10(14)5-6-12(11,4)7-13/h8,13H,5-7H2,1-4H3/t12-/m0/s1
InChIKey PYDHYYJJBBAOLB-LBPRGKRZSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JMZR8hK3wv8
Name (S)-4-(Hydroxymethyl)-2,4-dimethyl-3-(1-methylethoxy)-2-cyclohexenone
Alternate Name(s) (4S)-4-(hydroxymethyl)-3-isopropoxy-2,4-dimethyl-2-cyclohexen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O3
InChI InChI=1S/C12H20O3/c1-8(2)15-11-9(3)10(14)5-6-12(11,4)7-13/h8,13H,5-7H2,1-4H3/t12-/m0/s1
InChIKey PYDHYYJJBBAOLB-LBPRGKRZSA-N
Molecular Weight 212.289 g/mol
SMILES OC[C@]1(C(=C(C(=O)CC1)C)OC(C)C)C
SPLASH splash10-05aj-9300000000-0f2de7c769446bdedd29
Source of Spectrum J-61-5727-15
Wiley ID 1211607