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5'-Fluoro-2'-(3-methylbutyl)oxy-4-methoxychalcone (isomer 1)
SpectraBase Compound ID 5DPpUJOgavV
InChI InChI=1S/C21H23FO3/c1-15(2)12-13-25-21-11-7-17(22)14-19(21)20(23)10-6-16-4-8-18(24-3)9-5-16/h4-11,14-15H,12-13H2,1-3H3/b10-6+
InChIKey NROFQWVBTGUWIQ-UXBLZVDNSA-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 JEt3MONNdpw
Name 5'-Fluoro-2'-(3-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/c1-15(2)12-13-25-21-11-7-17(22)14-19(21)20(23)10-6-16-4-8-18(24-3)9-5-16/h4-11,14-15H,12-13H2,1-3H3/b10-6+
InChIKey NROFQWVBTGUWIQ-UXBLZVDNSA-N
Molecular Weight 342.410 g/mol
SMILES C1(=C(C=CC(=C1)F)OCCC(C)C)C(\C=C\C=1C=CC(=CC1)OC)=O