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4'-(2-Butyl)oxy-4-methoxy-2'-methylchalcone (isomer 1)

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

4'-(2-Butyl)oxy-4-methoxy-2'-methylchalcone (isomer 1)
SpectraBase Compound ID 6IkwLljg6x0
InChI InChI=1S/C21H24O3/c1-5-16(3)24-19-11-12-20(15(2)14-19)21(22)13-8-17-6-9-18(23-4)10-7-17/h6-14,16H,5H2,1-4H3/b13-8+
InChIKey DKORKQVYWFWBIF-MDWZMJQESA-N
Mol Weight 324.42 g/mol
Molecular Formula C21H24O3
Exact Mass 324.172545 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 64iWkGZpHuA
Name 4'-(2-Butyl)oxy-4-methoxy-2'-methylchalcone (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 324.172544630 u
Formula C21H24O3
InChI InChI=1S/C21H24O3/c1-5-16(3)24-19-11-12-20(15(2)14-19)21(22)13-8-17-6-9-18(23-4)10-7-17/h6-14,16H,5H2,1-4H3/b13-8+
InChIKey DKORKQVYWFWBIF-MDWZMJQESA-N
Molecular Weight 324.420 g/mol
SMILES C1(=C(C=C(C=C1)OC(CC)C)C)C(\C=C\C=1C=CC(OC)=CC1)=O