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Oxyphenbutazone pentafluoropropionate

View entire compound with spectra: 1 NMR

Oxyphenbutazone pentafluoropropionate
SpectraBase Compound ID 9GQ3kFlkplF
InChI InChI=1S/C22H19F5N2O4/c1-2-3-9-17-18(30)28(14-7-5-4-6-8-14)29(19(17)31)15-10-12-16(13-11-15)33-20(32)21(23,24)22(25,26)27/h4-8,10-13,17H,2-3,9H2,1H3
InChIKey ZRPBLUPNOZEHNN-UHFFFAOYSA-N
Mol Weight 470.4 g/mol
Molecular Formula C22H19F5N2O4
Exact Mass 470.126498 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9d3nuN0aVCB
Name Oxyphenbutazone pentafluoropropionate
Comments Computed using HOSE algorithm
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Exact Mass 470.126497911 u
Formula C22H19F5N2O4
InChI InChI=1S/C22H19F5N2O4/c1-2-3-9-17-18(30)28(14-7-5-4-6-8-14)29(19(17)31)15-10-12-16(13-11-15)33-20(32)21(23,24)22(25,26)27/h4-8,10-13,17H,2-3,9H2,1H3
InChIKey ZRPBLUPNOZEHNN-UHFFFAOYSA-N
Molecular Weight 470.396 g/mol
SMILES C1(N2N(C(C(C2=O)CCCC)=O)C2=CC=C(C=C2)OC(C(F)(C(F)(F)F)F)=O)=CC=CC=C1