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4',6'-Dimethoxy-4-dimethylamino-2'-(2-methylpropyl)oxychalcone (isomer 1)
SpectraBase Compound ID 33ZPra0W8iJ
InChI InChI=1S/C23H29NO4/c1-16(2)15-28-22-14-19(26-5)13-21(27-6)23(22)20(25)12-9-17-7-10-18(11-8-17)24(3)4/h7-14,16H,15H2,1-6H3/b12-9+
InChIKey ZKLDPBAGKNIZOZ-FMIVXFBMSA-N
Mol Weight 383.49 g/mol
Molecular Formula C23H29NO4
Exact Mass 383.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Kzgk6qY161O
Name 4',6'-Dimethoxy-4-dimethylamino-2'-(2-methylpropyl)oxychalcone (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 383.209658414 u
Formula C23H29NO4
InChI InChI=1S/C23H29NO4/c1-16(2)15-28-22-14-19(26-5)13-21(27-6)23(22)20(25)12-9-17-7-10-18(11-8-17)24(3)4/h7-14,16H,15H2,1-6H3/b12-9+
InChIKey ZKLDPBAGKNIZOZ-FMIVXFBMSA-N
Molecular Weight 383.488 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OCC(C)C)C(\C=C\C=1C=CC(N(C)C)=CC1)=O