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4,2'-bis(2-Methylpropyl)oxy-3,4',6'-trimethoxychalcone (isomer 1)

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4,2'-bis(2-Methylpropyl)oxy-3,4',6'-trimethoxychalcone (isomer 1)
SpectraBase Compound ID 4icX4o36F6Z
InChI InChI=1S/C26H34O6/c1-17(2)15-31-22-11-9-19(12-23(22)29-6)8-10-21(27)26-24(30-7)13-20(28-5)14-25(26)32-16-18(3)4/h8-14,17-18H,15-16H2,1-7H3/b10-8+
InChIKey KNXYCHHRDZLORD-CSKARUKUSA-N
Mol Weight 442.6 g/mol
Molecular Formula C26H34O6
Exact Mass 442.235539 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3Qoi157ll99
Name 4,2'-bis(2-Methylpropyl)oxy-3,4',6'-trimethoxychalcone (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.235538809 u
Formula C26H34O6
InChI InChI=1S/C26H34O6/c1-17(2)15-31-22-11-9-19(12-23(22)29-6)8-10-21(27)26-24(30-7)13-20(28-5)14-25(26)32-16-18(3)4/h8-14,17-18H,15-16H2,1-7H3/b10-8+
InChIKey KNXYCHHRDZLORD-CSKARUKUSA-N
Molecular Weight 442.552 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OCC(C)C)C(\C=C\C=1C=CC(OCC(C)C)=C(OC)C1)=O