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2'-Hydroxy-2,4',5-trimethoxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

2'-Hydroxy-2,4',5-trimethoxychalcone, pentafluoropropionate
SpectraBase Compound ID 39np03GWdcR
InChI InChI=1S/C21H17F5O6/c1-29-13-6-9-17(31-3)12(10-13)4-8-16(27)15-7-5-14(30-2)11-18(15)32-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b8-4+
InChIKey JVJAGNXMVFJDFL-XBXARRHUSA-N
Mol Weight 460.35 g/mol
Molecular Formula C21H17F5O6
Exact Mass 460.094529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2VEJ3TMGlgU
Name 2'-Hydroxy-2,4',5-trimethoxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 460.094529076 u
Formula C21H17F5O6
InChI InChI=1S/C21H17F5O6/c1-29-13-6-9-17(31-3)12(10-13)4-8-16(27)15-7-5-14(30-2)11-18(15)32-19(28)20(22,23)21(24,25)26/h4-11H,1-3H3/b8-4+
InChIKey JVJAGNXMVFJDFL-XBXARRHUSA-N
Molecular Weight 460.353 g/mol
SMILES C1(=CC=C(C=C1OC(C(C(F)(F)F)(F)F)=O)OC)C(\C=C\C1=C(C=CC(=C1)OC)OC)=O