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4,2'-bis(2-Butyl)oxy-3-methoxy-5'-methylchalcone (isomer 1)

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

4,2'-bis(2-Butyl)oxy-3-methoxy-5'-methylchalcone (isomer 1)
SpectraBase Compound ID DV72eTSK6wQ
InChI InChI=1S/C25H32O4/c1-7-18(4)28-23-13-9-17(3)15-21(23)22(26)12-10-20-11-14-24(25(16-20)27-6)29-19(5)8-2/h9-16,18-19H,7-8H2,1-6H3/b12-10+
InChIKey VPLUPOGZLKRLJO-ZRDIBKRKSA-N
Mol Weight 396.5 g/mol
Molecular Formula C25H32O4
Exact Mass 396.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1OnmX99hYyM
Name 4,2'-bis(2-Butyl)oxy-3-methoxy-5'-methylchalcone (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 396.230059506 u
Formula C25H32O4
InChI InChI=1S/C25H32O4/c1-7-18(4)28-23-13-9-17(3)15-21(23)22(26)12-10-20-11-14-24(25(16-20)27-6)29-19(5)8-2/h9-16,18-19H,7-8H2,1-6H3/b12-10+
InChIKey VPLUPOGZLKRLJO-ZRDIBKRKSA-N
Molecular Weight 396.527 g/mol
SMILES C1(=C(C=CC(=C1)C)OC(CC)C)C(\C=C\C=1C=CC(OC(CC)C)=C(C1)OC)=O