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3-(4'-lsobutyl-2'-methylenecyclohexyl)-2-methylpropanal
SpectraBase Compound ID Aa6z5w12kSt
InChI InChI=1S/C15H26O/c1-11(2)7-14-5-6-15(13(4)9-14)8-12(3)10-16/h10-12,14-15H,4-9H2,1-3H3
InChIKey JLIFARFNZDUSHD-UHFFFAOYSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JT1e4cr2ofo
Name 3-(4'-lsobutyl-2'-methylenecyclohexyl)-2-methylpropanal
Appearance Colorless oil
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Formula C15H26O
InChI InChI=1S/C15H26O/c1-11(2)7-14-5-6-15(13(4)9-14)8-12(3)10-16/h10-12,14-15H,4-9H2,1-3H3
InChIKey JLIFARFNZDUSHD-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 222.372 g/mol
SMILES C(C(CC1C(CC(CC1)CC(C)C)=C)C)=O
SPLASH splash10-054n-9500000000-5b30b2c922b614e8a51f
Sample Comments Mixture of two diastereomers, dr = 3:2, dr = 3:2
Source of Spectrum GB2529901A
Wiley ID 1852974