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4'-(2-Butyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1)

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

4'-(2-Butyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1)
SpectraBase Compound ID e5XPhJIsOL
InChI InChI=1S/C23H28O5/c1-7-16(3)28-18-9-10-19(15(2)12-18)20(24)11-8-17-13-21(25-4)23(27-6)22(14-17)26-5/h8-14,16H,7H2,1-6H3/b11-8+
InChIKey OFJGWRMOQQFZRF-DHZHZOJOSA-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 BSsenAdOzaF
Name 4'-(2-Butyl)oxy-2'-methyl-3,4,5-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/c1-7-16(3)28-18-9-10-19(15(2)12-18)20(24)11-8-17-13-21(25-4)23(27-6)22(14-17)26-5/h8-14,16H,7H2,1-6H3/b11-8+
InChIKey OFJGWRMOQQFZRF-DHZHZOJOSA-N
Molecular Weight 384.472 g/mol
SMILES C1(=C(C=C(C=C1)OC(CC)C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O