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2-Cyclohexen-1-one, 6-(4-hydroxy-1-methylbutyl)-3-methyl-, (R*,R*)-
SpectraBase Compound ID 6ZU4j983QJv
InChI InChI=1S/C12H20O2/c1-9-5-6-11(12(14)8-9)10(2)4-3-7-13/h8,10-11,13H,3-7H2,1-2H3/t10-,11-/m1/s1
InChIKey VMWLEDMMYRAGCS-GHMZBOCLSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CDqrl3S1k2h
Name 2-Cyclohexen-1-one, 6-(4-hydroxy-1-methylbutyl)-3-methyl-, (R*,R*)-
CAS Registry Number 62047-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-9-5-6-11(12(14)8-9)10(2)4-3-7-13/h8,10-11,13H,3-7H2,1-2H3/t10-,11-/m1/s1
InChIKey VMWLEDMMYRAGCS-GHMZBOCLSA-N
Molecular Weight 196.290 g/mol
SMILES OCCC[C@]([C@@]1(C(C=C(C)CC1)=O)[H])(C)[H]
SPLASH splash10-03ea-8900000000-92d8fbd97df440d93887
Source of Spectrum H-59-704-5
Synonyms (6R)-6-[(1R)-4-hydroxy-1-methylbutyl]-3-methyl-2-cyclohexen-1-one 4-(4'-Methyl-2'-oxo-cyclohex-3'-en-1'-yl)-pentan-1-ol (racemic)
Wiley ID 1193427