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(2R,5R)-2-acetonyl-5-isopropenyl-2-methyl-cyclohexanone
SpectraBase Compound ID BCwNtZqkczu
InChI InChI=1S/C13H20O2/c1-9(2)11-5-6-13(4,8-10(3)14)12(15)7-11/h11H,1,5-8H2,2-4H3/t11-,13-/m1/s1
InChIKey ZCPPKMUCVFDTAH-DGCLKSJQSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45nmus5XoVM
Name (2R,5R)-2-acetonyl-5-isopropenyl-2-methyl-cyclohexanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(2)11-5-6-13(4,8-10(3)14)12(15)7-11/h11H,1,5-8H2,2-4H3/t11-,13-/m1/s1
InChIKey ZCPPKMUCVFDTAH-DGCLKSJQSA-N
Molecular Weight 208.301 g/mol
SMILES [C@@]1(C(C[C@@](CC1)(C(=C)C)[H])=O)(CC(=O)C)C
SPLASH splash10-0k96-7900000000-20579b7ddab121536834
Source of Spectrum KD-14-2979-10
Synonyms (2R,5R)-2-methyl-2-(2-oxidanylidenepropyl)-5-prop-1-en-2-yl-cyclohexan-1-one (2R,5R)-2-methyl-2-(2-oxopropyl)-5-prop-1-en-2-ylcyclohexan-1-one (2R,5R)-2-methyl-5-(1-methylethenyl)-2-(2-oxopropyl)-1-cyclohexanone
Wiley ID 1636321