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2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR, and 1 FTIR

2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, pentafluoropropionate
SpectraBase Compound ID 9BIKEogGCZ4
InChI InChI=1S/C20H13F5O5/c1-11-3-2-4-15(30-18(27)19(21,22)20(23,24)25)17(11)13(26)7-5-12-6-8-14-16(9-12)29-10-28-14/h2-9H,10H2,1H3/b7-5+
InChIKey JNMQEELOTTXTFO-FNORWQNLSA-N
Mol Weight 428.31 g/mol
Molecular Formula C20H13F5O5
Exact Mass 428.068314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JUlDNgwdGvT
Name 2'-Hydroxy-6'-methyl-3,4-methylenedioxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 428.068314329 u
Formula C20H13F5O5
InChI InChI=1S/C20H13F5O5/c1-11-3-2-4-15(30-18(27)19(21,22)20(23,24)25)17(11)13(26)7-5-12-6-8-14-16(9-12)29-10-28-14/h2-9H,10H2,1H3/b7-5+
InChIKey JNMQEELOTTXTFO-FNORWQNLSA-N
Molecular Weight 428.311 g/mol
SMILES C1(=C(C=CC=C1OC(C(C(F)(F)F)(F)F)=O)C)C(\C=C\C1=CC2=C(C=C1)OCO2)=O