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

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

4'-(2-Methylpropyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 2)
SpectraBase Compound ID 2MXMZF2u898
InChI InChI=1S/C23H28O5/c1-15(2)14-28-18-8-9-19(16(3)11-18)20(24)10-7-17-12-21(25-4)23(27-6)22(13-17)26-5/h7-13,15H,14H2,1-6H3/b10-7+
InChIKey MNLLBKFEXPIGOX-JXMROGBWSA-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 9Xi9illNmtj
Name 4'-(2-Methylpropyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 2)
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/c1-15(2)14-28-18-8-9-19(16(3)11-18)20(24)10-7-17-12-21(25-4)23(27-6)22(13-17)26-5/h7-13,15H,14H2,1-6H3/b10-7+
InChIKey MNLLBKFEXPIGOX-JXMROGBWSA-N
Molecular Weight 384.472 g/mol
SMILES C1(=C(C=C(C=C1)OCC(C)C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O