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4'-(N-Pentyl)oxy-4-methoxy-2'-methylchalcone (isomer 1)

View entire compound with spectra: 1 NMR, and 1 FTIR

4'-(N-Pentyl)oxy-4-methoxy-2'-methylchalcone (isomer 1)
SpectraBase Compound ID GoMIOW24Z9I
InChI InChI=1S/C22H26O3/c1-4-5-6-15-25-20-12-13-21(17(2)16-20)22(23)14-9-18-7-10-19(24-3)11-8-18/h7-14,16H,4-6,15H2,1-3H3/b14-9+
InChIKey AMNQYPCZMVOJDT-NTEUORMPSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaI5FwtnlVj
Name 4'-(N-Pentyl)oxy-4-methoxy-2'-methylchalcone (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 338.188194694 u
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-4-5-6-15-25-20-12-13-21(17(2)16-20)22(23)14-9-18-7-10-19(24-3)11-8-18/h7-14,16H,4-6,15H2,1-3H3/b14-9+
InChIKey AMNQYPCZMVOJDT-NTEUORMPSA-N
Molecular Weight 338.447 g/mol
SMILES C1(=C(C=C(C=C1)OCCCCC)C)C(\C=C\C=1C=CC(OC)=CC1)=O