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

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4'-(3-Methylbutyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1)
SpectraBase Compound ID 12eekL5zpxY
InChI InChI=1S/C24H30O5/c1-16(2)11-12-29-19-8-9-20(17(3)13-19)21(25)10-7-18-14-22(26-4)24(28-6)23(15-18)27-5/h7-10,13-16H,11-12H2,1-6H3/b10-7+
InChIKey HACKBIBIXUSOHX-JXMROGBWSA-N
Mol Weight 398.5 g/mol
Molecular Formula C24H30O5
Exact Mass 398.209324 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9awYshJdOf5
Name 4'-(3-Methylbutyl)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 398.209324061 u
Formula C24H30O5
InChI InChI=1S/C24H30O5/c1-16(2)11-12-29-19-8-9-20(17(3)13-19)21(25)10-7-18-14-22(26-4)24(28-6)23(15-18)27-5/h7-10,13-16H,11-12H2,1-6H3/b10-7+
InChIKey HACKBIBIXUSOHX-JXMROGBWSA-N
Molecular Weight 398.499 g/mol
SMILES C1(=C(C=C(C=C1)OCCC(C)C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O