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2-[2-[(E)-2-(3,4-dimethoxyphenyl)vinyl]-4,5-dimethoxy-phenyl]ethyl-methyl-octyl-amine
SpectraBase Compound ID HNTJezD3f4t
InChI InChI=1S/C29H43NO4/c1-7-8-9-10-11-12-18-30(2)19-17-25-22-29(34-6)28(33-5)21-24(25)15-13-23-14-16-26(31-3)27(20-23)32-4/h13-16,20-22H,7-12,17-19H2,1-6H3/b15-13+
InChIKey ZYJUOXPKVBTJLI-FYWRMAATSA-N
Mol Weight 469.7 g/mol
Molecular Formula C29H43NO4
Exact Mass 469.319209 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8gFGGELDTfz
Name 2-[2-[(E)-2-(3,4-Dimethoxyphenyl)vinyl]-4,5-dimethoxy-phenyl]ethyl-methyl-octyl-amine
Comments Computed using HOSE algorithm
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Exact Mass 469.319208865 u
Formula C29H43NO4
InChI InChI=1S/C29H43NO4/c1-7-8-9-10-11-12-18-30(2)19-17-25-22-29(34-6)28(33-5)21-24(25)15-13-23-14-16-26(31-3)27(20-23)32-4/h13-16,20-22H,7-12,17-19H2,1-6H3/b15-13+
InChIKey ZYJUOXPKVBTJLI-FYWRMAATSA-N
Molecular Weight 469.666 g/mol
SMILES C=1(\C=C\C=2C=C(OC)C(=CC2)OC)C(=CC(=C(C1)OC)OC)CCN(CCCCCCCC)C