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2-Methyl-3-(4'-methyl-2'-methylenecyclohexyl)propanal
SpectraBase Compound ID CGOX3vyzeJo
InChI InChI=1S/C12H20O/c1-9-4-5-12(11(3)6-9)7-10(2)8-13/h8-10,12H,3-7H2,1-2H3
InChIKey GGMNNRARZQDDNX-UHFFFAOYSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iH34kUl2O
Name 2-Methyl-3-(4'-methyl-2'-methylenecyclohexyl)propanal
Appearance Colorless oil
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Formula C12H20O
InChI InChI=1S/C12H20O/c1-9-4-5-12(11(3)6-9)7-10(2)8-13/h8-10,12H,3-7H2,1-2H3
InChIKey GGMNNRARZQDDNX-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 180.291 g/mol
SMILES C(C(CC1C(CC(CC1)C)=C)C)=O
SPLASH splash10-052b-9500000000-5350c1d325e7e7e0e43f
Sample Comments Mixture of two diastereomers, dr = 3:2, dr = 3:2
Source of Spectrum GB2529901A
Wiley ID 1852971