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4-Ethoxy-2-hydroxybenzophenone, pentafluoropropionate
SpectraBase Compound ID 90UZqzRfJid
InChI InChI=1S/C18H13F5O4/c1-2-26-12-8-9-13(15(24)11-6-4-3-5-7-11)14(10-12)27-16(25)17(19,20)18(21,22)23/h3-10H,2H2,1H3
InChIKey NQCXEGPRFOWOKH-UHFFFAOYSA-N
Mol Weight 388.29 g/mol
Molecular Formula C18H13F5O4
Exact Mass 388.0734 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FRgbOq3l4Qb
Name 4-Ethoxy-2-hydroxybenzophenone, pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 388.073399710 u
Formula C18H13F5O4
InChI InChI=1S/C18H13F5O4/c1-2-26-12-8-9-13(15(24)11-6-4-3-5-7-11)14(10-12)27-16(25)17(19,20)18(21,22)23/h3-10H,2H2,1H3
InChIKey NQCXEGPRFOWOKH-UHFFFAOYSA-N
Molecular Weight 388.290 g/mol
SMILES C(OC1=CC(=C(C=C1)C(=O)C1=CC=CC=C1)OC(C(C(F)(F)F)(F)F)=O)C