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(2S,3R,5R)-5-Isopropyl-2,3-dimethyl-2-(2-oxopropyl)cyclohexanone
SpectraBase Compound ID 9638VN5q5FJ
InChI InChI=1S/C14H22O2/c1-9(2)12-6-10(3)14(5,8-11(4)15)13(16)7-12/h10,12H,1,6-8H2,2-5H3/t10-,12-,14+/m1/s1
InChIKey HJIVMEWFRDWQPI-QKCSRTOESA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EU0CxEUttsw
Name (2S,3R,5R)-5-Isopropyl-2,3-dimethyl-2-(2-oxopropyl)cyclohexanone
Alternate Name(s) (2S,3R,5R)-2-Allyl-5-Isopropenyl-2,3-dimethyl-2-(2-oxopropyl)cyclohexanone (2S,3R,5R)-2,3-dimethyl-5-(1-methylethenyl)-2-(2-oxopropyl)-1-cyclohexanone (2S,3R,5R)-2,3-dimethyl-2-(2-oxopropyl)-5-prop-1-en-2-ylcyclohexan-1-one (2S,3R,5R)-2,3-dimethyl-2-(2-oxidanylidenepropyl)-5-prop-1-en-2-yl-cyclohexan-1-one
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Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-9(2)12-6-10(3)14(5,8-11(4)15)13(16)7-12/h10,12H,1,6-8H2,2-5H3/t10-,12-,14+/m1/s1
InChIKey HJIVMEWFRDWQPI-QKCSRTOESA-N
Molecular Weight 222.328 g/mol
SMILES [C@@]1(C(C[C@@](C[C@]1(C)[H])(C(=C)C)[H])=O)(CC(=O)C)C
SPLASH splash10-00kf-9800000000-d52e8e87fa3a08ff558c
Source of Spectrum K-2001-2045-15
Wiley ID 1579514