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4-(4-Hydroxyphenyl)-2-methyl-1(2H)-phthalazinone, trifluoroacetate

View entire compound with spectra: 1 NMR

4-(4-Hydroxyphenyl)-2-methyl-1(2H)-phthalazinone, trifluoroacetate
SpectraBase Compound ID KyYIWQsQ9so
InChI InChI=1S/C17H11F3N2O3/c1-22-15(23)13-5-3-2-4-12(13)14(21-22)10-6-8-11(9-7-10)25-16(24)17(18,19)20/h2-9H,1H3
InChIKey PXMDPVCVNYNTAN-UHFFFAOYSA-N
Mol Weight 348.28 g/mol
Molecular Formula C17H11F3N2O3
Exact Mass 348.072177 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KbJfmHNrNRF
Name 4-(4-Hydroxyphenyl)-2-methyl-1(2H)-phthalazinone, trifluoroacetate
Comments Computed using HOSE algorithm
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Exact Mass 348.072176708 u
Formula C17H11F3N2O3
InChI InChI=1S/C17H11F3N2O3/c1-22-15(23)13-5-3-2-4-12(13)14(21-22)10-6-8-11(9-7-10)25-16(24)17(18,19)20/h2-9H,1H3
InChIKey PXMDPVCVNYNTAN-UHFFFAOYSA-N
Molecular Weight 348.281 g/mol
SMILES C1(=NN(C(C=2C1=CC=CC2)=O)C)C1=CC=C(C=C1)OC(C(F)(F)F)=O