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7-(5,5,8a-Trimethyl-2-methylenedecahydronaphthyl)-5-methyl-hept-4-enal

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7-(5,5,8a-Trimethyl-2-methylenedecahydronaphthyl)-5-methyl-hept-4-enal
SpectraBase Compound ID ATzP3C2iQtb
InChI InChI=1S/C22H36O/c1-17(9-6-7-16-23)10-12-19-18(2)11-13-20-21(3,4)14-8-15-22(19,20)5/h9,16,19-20H,2,6-8,10-15H2,1,3-5H3/b17-9+
InChIKey NIVKBGFNMQNRKJ-RQZCQDPDSA-N
Mol Weight 316.5 g/mol
Molecular Formula C22H36O
Exact Mass 316.276616 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID C5dmzOWrPF5
Name 7-(5,5,8A-Trimethyl-2-methylenedecahydronaphthyl)-5-methyl-hept-4-enal
Comments Computed using HOSE algorithm
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Exact Mass 316.276615778 u
Formula C22H36O
InChI InChI=1S/C22H36O/c1-17(9-6-7-16-23)10-12-19-18(2)11-13-20-21(3,4)14-8-15-22(19,20)5/h9,16,19-20H,2,6-8,10-15H2,1,3-5H3/b17-9+
InChIKey NIVKBGFNMQNRKJ-RQZCQDPDSA-N
Molecular Weight 316.529 g/mol
SMILES C12(C(C(C)(C)CCC2)CCC(C1CC\C(=C\CCC=O)C)=C)C