For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

2'-(N-Pentyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)

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

2'-(N-Pentyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)
SpectraBase Compound ID HxVIJKMhnFu
InChI InChI=1S/C23H28O5/c1-5-6-7-14-28-22-16-19(26-3)15-21(27-4)23(22)20(24)13-10-17-8-11-18(25-2)12-9-17/h8-13,15-16H,5-7,14H2,1-4H3/b13-10+
InChIKey CTNYCWWEQAQPAG-JLHYYAGUSA-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2N9cKgTeKIL
Name 2'-(N-Pentyl)oxy-4,4',6'-trimethoxychalcone (isomer 1)
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/c1-5-6-7-14-28-22-16-19(26-3)15-21(27-4)23(22)20(24)13-10-17-8-11-18(25-2)12-9-17/h8-13,15-16H,5-7,14H2,1-4H3/b13-10+
InChIKey CTNYCWWEQAQPAG-JLHYYAGUSA-N
Molecular Weight 384.472 g/mol
SMILES C1(=C(C=C(C=C1OC)OC)OCCCCC)C(\C=C\C=1C=CC(OC)=CC1)=O