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4,2'-bis(N-Propyl)oxy-3-methoxy-5'-methylchalcone (isomer 1)
SpectraBase Compound ID 7Qnm1fv9q51
InChI InChI=1S/C23H28O4/c1-5-13-26-21-11-7-17(3)15-19(21)20(24)10-8-18-9-12-22(27-14-6-2)23(16-18)25-4/h7-12,15-16H,5-6,13-14H2,1-4H3/b10-8+
InChIKey XGSUKVOEQRAJQE-CSKARUKUSA-N
Mol Weight 368.47 g/mol
Molecular Formula C23H28O4
Exact Mass 368.198759 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5dVt73JP1E9
Name 4,2'-bis(N-Propyl)oxy-3-methoxy-5'-methylchalcone (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 368.198759378 u
Formula C23H28O4
InChI InChI=1S/C23H28O4/c1-5-13-26-21-11-7-17(3)15-19(21)20(24)10-8-18-9-12-22(27-14-6-2)23(16-18)25-4/h7-12,15-16H,5-6,13-14H2,1-4H3/b10-8+
InChIKey XGSUKVOEQRAJQE-CSKARUKUSA-N
Molecular Weight 368.473 g/mol
SMILES C1(=C(C=CC(=C1)C)OCCC)C(\C=C\C=1C=CC(OCCC)=C(C1)OC)=O