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

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

4,2'-bis(3-Methylbutyl)oxy-3-methoxy-5'-methylchalcone (isomer 1)
SpectraBase Compound ID 1vAmIkUlRA7
InChI InChI=1S/C27H36O4/c1-19(2)13-15-30-25-11-7-21(5)17-23(25)24(28)10-8-22-9-12-26(27(18-22)29-6)31-16-14-20(3)4/h7-12,17-20H,13-16H2,1-6H3/b10-8+
InChIKey VGKLJMVARDWZNA-CSKARUKUSA-N
Mol Weight 424.6 g/mol
Molecular Formula C27H36O4
Exact Mass 424.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1I5e5BtwgKs
Name 4,2'-bis(3-Methylbutyl)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 424.261359635 u
Formula C27H36O4
InChI InChI=1S/C27H36O4/c1-19(2)13-15-30-25-11-7-21(5)17-23(25)24(28)10-8-22-9-12-26(27(18-22)29-6)31-16-14-20(3)4/h7-12,17-20H,13-16H2,1-6H3/b10-8+
InChIKey VGKLJMVARDWZNA-CSKARUKUSA-N
Molecular Weight 424.581 g/mol
SMILES C1(=C(C=CC(=C1)C)OCCC(C)C)C(\C=C\C=1C=CC(OCCC(C)C)=C(C1)OC)=O