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(2S,5R)-2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexanone
SpectraBase Compound ID HIFu5yY3GfL
InChI InChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey QNZZGEDTDYWNFN-HTQZYQBOSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wAv4heVh0s
Name (2S,5R)-2-(1-hydroxy-1-methyl-ethyl)-5-methyl-cyclohexanone
CAS Registry Number 119678-34-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-7-4-5-8(9(11)6-7)10(2,3)12/h7-8,12H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKey QNZZGEDTDYWNFN-HTQZYQBOSA-N
Molecular Weight 170.252 g/mol
SMILES OC([C@]1(C(C[C@@](CC1)(C)[H])=O)[H])(C)C
SPLASH splash10-08ml-9400000000-73ad17b08455c6da497b
Source of Spectrum H-71-217-0
Synonyms (2S,5R)-2-(2-hydroxypropan-2-yl)-5-methyl-1-cyclohexanone (2S,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-one (2S,5R)-5-methyl-2-(2-oxidanylpropan-2-yl)cyclohexan-1-one
Wiley ID 1167171