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2'-(3-Methylbutyl)oxy-3,4,4',5-tetramethoxychalcone (ISOMER1 )

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2'-(3-Methylbutyl)oxy-3,4,4',5-tetramethoxychalcone (ISOMER1 )
SpectraBase Compound ID 3LjkEZA74xX
InChI InChI=1S/C24H30O6/c1-16(2)11-12-30-21-15-18(26-3)8-9-19(21)20(25)10-7-17-13-22(27-4)24(29-6)23(14-17)28-5/h7-10,13-16H,11-12H2,1-6H3/b10-7+
InChIKey UNYOYNGXJOJYHX-JXMROGBWSA-N
Mol Weight 414.5 g/mol
Molecular Formula C24H30O6
Exact Mass 414.204239 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9gkcxuvleag
Name 2'-(3-Methylbutyl)oxy-3,4,4',5-tetramethoxychalcone (ISOMER1 )
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 414.204238680 u
Formula C24H30O6
InChI InChI=1S/C24H30O6/c1-16(2)11-12-30-21-15-18(26-3)8-9-19(21)20(25)10-7-17-13-22(27-4)24(29-6)23(14-17)28-5/h7-10,13-16H,11-12H2,1-6H3/b10-7+
InChIKey UNYOYNGXJOJYHX-JXMROGBWSA-N
Molecular Weight 414.498 g/mol
SMILES C1(=C(C=C(C=C1)OC)OCCC(C)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O