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(2R)-3,3-dimethyl-2-(3-oxobutyl)cyclohexanone
SpectraBase Compound ID 3E957cltjO7
InChI InChI=1S/C12H20O2/c1-9(13)6-7-10-11(14)5-4-8-12(10,2)3/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKey FZERUMGLDNTEJZ-JTQLQIEISA-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 4VaA6oybo2C
Name (2R)-3,3-dimethyl-2-(3-oxobutyl)cyclohexanone
CAS Registry Number 65716-58-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-9(13)6-7-10-11(14)5-4-8-12(10,2)3/h10H,4-8H2,1-3H3/t10-/m0/s1
InChIKey FZERUMGLDNTEJZ-JTQLQIEISA-N
Molecular Weight 196.290 g/mol
SMILES [C@@]1(C(CCCC1=O)(C)C)(CCC(=O)C)[H]
SPLASH splash10-01qc-7900000000-2166acbabc3c215938b8
Source of Spectrum H-60-2769-0
Synonyms (2R)-3,3-dimethyl-2-(3-oxobutyl)-1-cyclohexanone (2R)-3,3-dimethyl-2-(3-oxobutyl)cyclohexan-1-one (2R)-3,3-dimethyl-2-(3-oxidanylidenebutyl)cyclohexan-1-one
Wiley ID 1193447