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

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

5'-Fluoro-2'-(2-methylbutyl)oxy-4-methoxychalcone (isomer 1)
SpectraBase Compound ID 4GnpmVTZpgi
InChI InChI=1S/C21H23FO3/c1-4-15(2)14-25-21-12-8-17(22)13-19(21)20(23)11-7-16-5-9-18(24-3)10-6-16/h5-13,15H,4,14H2,1-3H3/b11-7+
InChIKey JPEHZOWDZVMZHK-YRNVUSSQSA-N
Mol Weight 342.41 g/mol
Molecular Formula C21H23FO3
Exact Mass 342.163123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVzvCIffRNg
Name 5'-Fluoro-2'-(2-methylbutyl)oxy-4-methoxychalcone (isomer 1)
Comments Computed using HOSE algorithm
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Exact Mass 342.163122761 u
Formula C21H23FO3
InChI InChI=1S/C21H23FO3/c1-4-15(2)14-25-21-12-8-17(22)13-19(21)20(23)11-7-16-5-9-18(24-3)10-6-16/h5-13,15H,4,14H2,1-3H3/b11-7+
InChIKey JPEHZOWDZVMZHK-YRNVUSSQSA-N
Molecular Weight 342.410 g/mol
SMILES C1(=C(C=CC(=C1)F)OCC(CC)C)C(\C=C\C=1C=CC(=CC1)OC)=O