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1,2-Dimethoxy-4-[(2E,5E)-6-methyl-5-propylnona-2,5-dienyl]benzene
SpectraBase Compound ID H9aqQ8cSNTA
InChI InChI=1S/C21H32O2/c1-6-10-17(3)19(11-7-2)13-9-8-12-18-14-15-20(22-4)21(16-18)23-5/h8-9,14-16H,6-7,10-13H2,1-5H3/b9-8+,19-17+
InChIKey LGZGVEFERNFPON-JUMSSORRSA-N
Mol Weight 316.5 g/mol
Molecular Formula C21H32O2
Exact Mass 316.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rAWhMpHcQE
Name 1,2-Dimethoxy-4-[(2E,5E)-6-methyl-5-propylnona-2,5-dienyl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 316.240230268 u
Formula C21H32O2
InChI InChI=1S/C21H32O2/c1-6-10-17(3)19(11-7-2)13-9-8-12-18-14-15-20(22-4)21(16-18)23-5/h8-9,14-16H,6-7,10-13H2,1-5H3/b9-8+,19-17+
InChIKey LGZGVEFERNFPON-JUMSSORRSA-N
Molecular Weight 316.485 g/mol
SMILES C1(=C(C=CC(=C1)C\C=C\C\C(=C\(CCC)C)CCC)OC)OC