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2'-Pentafluoropropionyloxy-2,4,4',5,6'-pentamethoxychalcone

View entire compound with spectra: 1 NMR

2'-Pentafluoropropionyloxy-2,4,4',5,6'-pentamethoxychalcone
SpectraBase Compound ID 6OxKLjS12WR
InChI InChI=1S/C23H21F5O8/c1-31-13-9-18(35-5)20(19(10-13)36-21(30)22(24,25)23(26,27)28)14(29)7-6-12-8-16(33-3)17(34-4)11-15(12)32-2/h6-11H,1-5H3/b7-6+
InChIKey RCXICXOFKZCZAI-VOTSOKGWSA-N
Mol Weight 520.41 g/mol
Molecular Formula C23H21F5O8
Exact Mass 520.115658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HkHHHWHQhoC
Name 2'-Pentafluoropropionyloxy-2,4,4',5,6'-pentamethoxychalcone
Comments Computed using HOSE algorithm
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Exact Mass 520.115658443 u
Formula C23H21F5O8
InChI InChI=1S/C23H21F5O8/c1-31-13-9-18(35-5)20(19(10-13)36-21(30)22(24,25)23(26,27)28)14(29)7-6-12-8-16(33-3)17(34-4)11-15(12)32-2/h6-11H,1-5H3/b7-6+
InChIKey RCXICXOFKZCZAI-VOTSOKGWSA-N
Molecular Weight 520.405 g/mol
SMILES C1(=C(C=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC)OC)C(\C=C\C1=CC(=C(C=C1OC)OC)OC)=O