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2'-(Heptafluorobutyryl)oxy-3,4,4',5-tetramethoxychalcone (isomer 2)

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2'-(Heptafluorobutyryl)oxy-3,4,4',5-tetramethoxychalcone (isomer 2)
SpectraBase Compound ID FUNF9J4d5QU
InChI InChI=1S/C23H19F7O7/c1-33-13-6-7-14(16(11-13)37-20(32)21(24,25)22(26,27)23(28,29)30)15(31)8-5-12-9-17(34-2)19(36-4)18(10-12)35-3/h5-11H,1-4H3/b8-5+
InChIKey SRYDAMDXKDLOAU-VMPITWQZSA-N
Mol Weight 540.39 g/mol
Molecular Formula C23H19F7O7
Exact Mass 540.1019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5BJXgvBwNzy
Name 2'-(Heptafluorobutyryl)oxy-3,4,4',5-tetramethoxychalcone (isomer 2)
Comments Computed using HOSE algorithm
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Exact Mass 540.101900086 u
Formula C23H19F7O7
InChI InChI=1S/C23H19F7O7/c1-33-13-6-7-14(16(11-13)37-20(32)21(24,25)22(26,27)23(28,29)30)15(31)8-5-12-9-17(34-2)19(36-4)18(10-12)35-3/h5-11H,1-4H3/b8-5+
InChIKey SRYDAMDXKDLOAU-VMPITWQZSA-N
Molecular Weight 540.387 g/mol
SMILES C1(=C(C=C(C=C1)OC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)C(\C=C\C=1C=C(OC)C(OC)=C(OC)C1)=O