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

*Links on SpectraBase are not permalinks.

5'-Fluoro-2'-(2-butyl)oxy-4-methoxychalcone (isomer 1)

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

5'-Fluoro-2'-(2-butyl)oxy-4-methoxychalcone (isomer 1)
SpectraBase Compound ID 4Hcjt8wlh5B
InChI InChI=1S/C20H21FO3/c1-4-14(2)24-20-12-8-16(21)13-18(20)19(22)11-7-15-5-9-17(23-3)10-6-15/h5-14H,4H2,1-3H3/b11-7+
InChIKey XGMMTZQNCRPIHS-YRNVUSSQSA-N
Mol Weight 328.38 g/mol
Molecular Formula C20H21FO3
Exact Mass 328.147473 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 GmnPOMmXlxg
Name 5'-Fluoro-2'-(2-butyl)oxy-4-methoxychalcone (isomer 1)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.147472696 u
Formula C20H21FO3
InChI InChI=1S/C20H21FO3/c1-4-14(2)24-20-12-8-16(21)13-18(20)19(22)11-7-15-5-9-17(23-3)10-6-15/h5-14H,4H2,1-3H3/b11-7+
InChIKey XGMMTZQNCRPIHS-YRNVUSSQSA-N
Molecular Weight 328.383 g/mol
SMILES C1(=C(C=CC(=C1)F)OC(CC)C)C(\C=C\C=1C=CC(=CC1)OC)=O