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3,6'-Dimethoxy-2'-(heptafluorobutyryl)oxychalcone

View entire compound with spectra: 1 NMR

3,6'-Dimethoxy-2'-(heptafluorobutyryl)oxychalcone
SpectraBase Compound ID HTjygAo19BK
InChI InChI=1S/C21H15F7O5/c1-31-13-6-3-5-12(11-13)9-10-14(29)17-15(32-2)7-4-8-16(17)33-18(30)19(22,23)20(24,25)21(26,27)28/h3-11H,1-2H3/b10-9+
InChIKey SPJJAGUJCDIHPE-MDZDMXLPSA-N
Mol Weight 480.33 g/mol
Molecular Formula C21H15F7O5
Exact Mass 480.080771 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfIux1m5h0A
Name 3,6'-Dimethoxy-2'-(heptafluorobutyryl)oxychalcone
Comments Computed using HOSE algorithm
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Exact Mass 480.080770719 u
Formula C21H15F7O5
InChI InChI=1S/C21H15F7O5/c1-31-13-6-3-5-12(11-13)9-10-14(29)17-15(32-2)7-4-8-16(17)33-18(30)19(22,23)20(24,25)21(26,27)28/h3-11H,1-2H3/b10-9+
InChIKey SPJJAGUJCDIHPE-MDZDMXLPSA-N
Molecular Weight 480.335 g/mol
SMILES C1(=C(C=CC=C1OC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC)C(\C=C\C1=CC(=CC=C1)OC)=O