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2,4-Dimethoxy-2'(N-pentyl)oxychalcone (isomer 2)
SpectraBase Compound ID KgcgfbhBcDw
InChI InChI=1S/C22H26O4/c1-4-5-8-15-26-21-10-7-6-9-19(21)20(23)14-12-17-11-13-18(24-2)16-22(17)25-3/h6-7,9-14,16H,4-5,8,15H2,1-3H3/b14-12+
InChIKey JVKIYQGRPWIGQB-WYMLVPIESA-N
Mol Weight 354.45 g/mol
Molecular Formula C22H26O4
Exact Mass 354.183109 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6eTxu0ih1rp
Name 2,4-Dimethoxy-2'(N-pentyl)oxychalcone (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 354.183109313 u
Formula C22H26O4
InChI InChI=1S/C22H26O4/c1-4-5-8-15-26-21-10-7-6-9-19(21)20(23)14-12-17-11-13-18(24-2)16-22(17)25-3/h6-7,9-14,16H,4-5,8,15H2,1-3H3/b14-12+
InChIKey JVKIYQGRPWIGQB-WYMLVPIESA-N
Molecular Weight 354.446 g/mol
SMILES C1(=C(C=CC=C1)OCCCCC)C(\C=C\C=1C=CC(OC)=CC1OC)=O