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2'-(3-Methylbutyl)oxy-3,4,4'-trimethoxychalcone (isomer 1)

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

2'-(3-Methylbutyl)oxy-3,4,4'-trimethoxychalcone (isomer 1)
SpectraBase Compound ID 76FTHyhZVng
InChI InChI=1S/C23H28O5/c1-16(2)12-13-28-22-15-18(25-3)8-9-19(22)20(24)10-6-17-7-11-21(26-4)23(14-17)27-5/h6-11,14-16H,12-13H2,1-5H3/b10-6+
InChIKey ZYBKUIAUNQWINK-UXBLZVDNSA-N
Mol Weight 384.47 g/mol
Molecular Formula C23H28O5
Exact Mass 384.193674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GGcYaJy9sMf
Name 2'-(3-Methylbutyl)oxy-3,4,4'-trimethoxychalcone (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.193673997 u
Formula C23H28O5
InChI InChI=1S/C23H28O5/c1-16(2)12-13-28-22-15-18(25-3)8-9-19(22)20(24)10-6-17-7-11-21(26-4)23(14-17)27-5/h6-11,14-16H,12-13H2,1-5H3/b10-6+
InChIKey ZYBKUIAUNQWINK-UXBLZVDNSA-N
Molecular Weight 384.472 g/mol
SMILES C1(=C(C=C(C=C1)OC)OCCC(C)C)C(\C=C\C=1C=CC(OC)=C(OC)C1)=O