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5'-Fluoro-2'-(N-butyl)oxy-4-methoxychalcone (ISOMER1)

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

5'-Fluoro-2'-(N-butyl)oxy-4-methoxychalcone (ISOMER1)
SpectraBase Compound ID rMvaeSHY2Q
InChI InChI=1S/C20H21FO3/c1-3-4-13-24-20-12-8-16(21)14-18(20)19(22)11-7-15-5-9-17(23-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3/b11-7+
InChIKey GNVRNUWHWNTSJQ-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

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SpectraBase Spectrum ID C4hMC28SIkw
Name 5'-Fluoro-2'-(N-butyl)oxy-4-methoxychalcone (ISOMER1)
Comments Computed using HOSE algorithm
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Exact Mass 328.147472696 u
Formula C20H21FO3
InChI InChI=1S/C20H21FO3/c1-3-4-13-24-20-12-8-16(21)14-18(20)19(22)11-7-15-5-9-17(23-2)10-6-15/h5-12,14H,3-4,13H2,1-2H3/b11-7+
InChIKey GNVRNUWHWNTSJQ-YRNVUSSQSA-N
Molecular Weight 328.383 g/mol
SMILES C1(=C(C=CC(=C1)F)OCCCC)C(\C=C\C=1C=CC(=CC1)OC)=O