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Oxyphenbutazone heptafluorobutyrate

View entire compound with spectra: 1 NMR

Oxyphenbutazone heptafluorobutyrate
SpectraBase Compound ID EolbEMvahFq
InChI InChI=1S/C23H19F7N2O4/c1-2-3-9-17-18(33)31(14-7-5-4-6-8-14)32(19(17)34)15-10-12-16(13-11-15)36-20(35)21(24,25)22(26,27)23(28,29)30/h4-8,10-13,17H,2-3,9H2,1H3
InChIKey JRNVWVYUDKMIFX-UHFFFAOYSA-N
Mol Weight 520.4 g/mol
Molecular Formula C23H19F7N2O4
Exact Mass 520.123304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AkZutE9vGhL
Name Oxyphenbutazone heptafluorobutyrate
Comments Computed using HOSE algorithm
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Exact Mass 520.123304237 u
Formula C23H19F7N2O4
InChI InChI=1S/C23H19F7N2O4/c1-2-3-9-17-18(33)31(14-7-5-4-6-8-14)32(19(17)34)15-10-12-16(13-11-15)36-20(35)21(24,25)22(26,27)23(28,29)30/h4-8,10-13,17H,2-3,9H2,1H3
InChIKey JRNVWVYUDKMIFX-UHFFFAOYSA-N
Molecular Weight 520.404 g/mol
SMILES C1(N2C(C(CCCC)C(N2C2=CC=CC=C2)=O)=O)=CC=C(C=C1)OC(C(F)(C(F)(C(F)(F)F)F)F)=O