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

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

4'-(2-Methylbutyl)oxy-4-methoxy-2'-methylchalcone (isomer 1)
SpectraBase Compound ID 5nqwbropBmT
InChI InChI=1S/C22H26O3/c1-5-16(2)15-25-20-11-12-21(17(3)14-20)22(23)13-8-18-6-9-19(24-4)10-7-18/h6-14,16H,5,15H2,1-4H3/b13-8+
InChIKey DZDGPANKKRZXPG-MDWZMJQESA-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 8Fgw45CJYhq
Name 4'-(2-Methylbutyl)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/c1-5-16(2)15-25-20-11-12-21(17(3)14-20)22(23)13-8-18-6-9-19(24-4)10-7-18/h6-14,16H,5,15H2,1-4H3/b13-8+
InChIKey DZDGPANKKRZXPG-MDWZMJQESA-N
Molecular Weight 338.447 g/mol
SMILES C1(=C(C=C(C=C1)OCC(CC)C)C)C(\C=C\C=1C=CC(OC)=CC1)=O