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Methyl [1'R,2'S,3'S,4'R]-2-(2'-formyl-4'-methyl-3'-(3"-oxobutyl)cyclohex-1'-yl]propenoate
SpectraBase Compound ID 9O7vaeI5HcW
InChI InChI=1S/C16H24O4/c1-10-5-7-14(12(3)16(19)20-4)15(9-17)13(10)8-6-11(2)18/h9-10,13-15H,3,5-8H2,1-2,4H3/t10-,13+,14+,15-/m1/s1
InChIKey VNINDBBHKRROPX-SDJAHQOYSA-N
Mol Weight 280.36 g/mol
Molecular Formula C16H24O4
Exact Mass 280.167459 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EdJ5icaCKmL
Name Methyl [1'R,2'S,3'S,4'R]-2-(2'-formyl-4'-methyl-3'-(3"-oxobutyl)cyclohex-1'-yl]propenoate
Alternate Name(s) Methyl[1'R,2'R,3'S,4'R]-2-(2'-formyl-4'-methyl-3'-(3''-oxobutyl)cyclohex-1'-yl]propenoate
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Formula C16H24O4
InChI InChI=1S/C16H24O4/c1-10-5-7-14(12(3)16(19)20-4)15(9-17)13(10)8-6-11(2)18/h9-10,13-15H,3,5-8H2,1-2,4H3/t10-,13+,14+,15-/m1/s1
InChIKey VNINDBBHKRROPX-SDJAHQOYSA-N
Molecular Weight 280.364 g/mol
SMILES C([C@]1([C@@]([C@](CCC(=O)C)([H])[C@@](CC1)(C)[H])(C=O)[H])[H])(C(=O)OC)=C
SPLASH splash10-0006-9140000000-e71c264b26b9f53728cd
Source of Spectrum C-117-11104-13
Wiley ID 759373