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(2R*,3S*)-3-Butyl-2-ethenyl-2-methylcyclohexanone
SpectraBase Compound ID LONiQVBog5R
InChI InChI=1S/C13H22O/c1-4-6-8-11-9-7-10-12(14)13(11,3)5-2/h5,11H,2,4,6-10H2,1,3H3/t11-,13-/m1/s1
InChIKey JHWNIUYYLYRYBO-DGCLKSJQSA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7jEsufpL6ZI
Name (2R*,3S*)-3-Butyl-2-ethenyl-2-methylcyclohexanone
Comments Less than 3 mono-isotopic peaks
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Formula C13H22O
InChI InChI=1S/C13H22O/c1-4-6-8-11-9-7-10-12(14)13(11,3)5-2/h5,11H,2,4,6-10H2,1,3H3/t11-,13-/m1/s1
InChIKey JHWNIUYYLYRYBO-DGCLKSJQSA-N
Molecular Weight 194.318 g/mol
SMILES [C@]1(C(=O)CCC[C@]1(CCCC)[H])(C=C)C
SPLASH splash10-0a4l-0900000000-fbd255366134052e8d76
Source of Spectrum SO-0-142-0
Synonyms (2R,3R)-3-butyl-2-methyl-2-vinylcyclohexanone
Wiley ID 865267