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2'-Hydroxy-2-methoxychalcone, pentafluoropropionate

View entire compound with spectra: 1 NMR

2'-Hydroxy-2-methoxychalcone, pentafluoropropionate
SpectraBase Compound ID 8Dkb5S9rgA8
InChI InChI=1S/C19H13F5O4/c1-27-15-8-4-2-6-12(15)10-11-14(25)13-7-3-5-9-16(13)28-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b11-10+
InChIKey AVSLOMOOBDSHCS-ZHACJKMWSA-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 7JkklBzSkmW
Name 2'-Hydroxy-2-methoxychalcone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 400.073399710 u
Formula C19H13F5O4
InChI InChI=1S/C19H13F5O4/c1-27-15-8-4-2-6-12(15)10-11-14(25)13-7-3-5-9-16(13)28-17(26)18(20,21)19(22,23)24/h2-11H,1H3/b11-10+
InChIKey AVSLOMOOBDSHCS-ZHACJKMWSA-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=C1OC)=O