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2'-Hydroxy-3-methoxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

2'-Hydroxy-3-methoxychalcone, pentafluoropropionate
SpectraBase Compound ID 3CGq3qQqejb
InChI InChI=1S/C19H13F5O4/c1-27-13-6-4-5-12(11-13)9-10-15(25)14-7-2-3-8-16(14)28-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b10-9+
InChIKey NITDBTBBJQUEEW-MDZDMXLPSA-N
Mol Weight 400.3 g/mol
Molecular Formula C19H13F5O4
Exact Mass 400.0734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AUYeVZ76ig4
Name 2'-Hydroxy-3-methoxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 400.073399710 u
Formula C19H13F5O4
InChI InChI=1S/C19H13F5O4/c1-27-13-6-4-5-12(11-13)9-10-15(25)14-7-2-3-8-16(14)28-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b10-9+
InChIKey NITDBTBBJQUEEW-MDZDMXLPSA-N
Molecular Weight 400.301 g/mol
SMILES C1(=CC=CC=C1OC(C(C(F)(F)F)(F)F)=O)C(\C=C\C1=CC=CC(=C1)OC)=O