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

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4'-(N-Pentyl)oxy-2'-methyl-3,4,5-trimethoxychalcone (isomer 1)
SpectraBase Compound ID L0bWoD6eEgb
InChI InChI=1S/C24H30O5/c1-6-7-8-13-29-19-10-11-20(17(2)14-19)21(25)12-9-18-15-22(26-3)24(28-5)23(16-18)27-4/h9-12,14-16H,6-8,13H2,1-5H3/b12-9+
InChIKey BTTGPAILFIUMSI-FMIVXFBMSA-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 3S0RCVsU323
Name 4'-(N-Pentyl)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/c1-6-7-8-13-29-19-10-11-20(17(2)14-19)21(25)12-9-18-15-22(26-3)24(28-5)23(16-18)27-4/h9-12,14-16H,6-8,13H2,1-5H3/b12-9+
InChIKey BTTGPAILFIUMSI-FMIVXFBMSA-N
Molecular Weight 398.499 g/mol
SMILES C1(=C(C=C(C=C1)OCCCCC)C)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O