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[5-(18)O]-5-HYDROXY-ROFECOXIB

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[5-(18)O]-5-HYDROXY-ROFECOXIB
SpectraBase Compound ID FvP6Hh8OnET
InChI InChI=1S/C17H14O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,17,19H,1H3/i19+2
InChIKey NCBVUSNBLYMFPP-SPLUINJESA-N
Mol Weight 332.35 g/mol
Molecular Formula C17H14O418OS
Exact Mass 332.06044 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A7tFCZD6uBt
Name [5-(18)O]-5-HYDROXY-ROFECOXIB
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H14O418OS
InChI InChI=1S/C17H14O5S/c1-23(20,21)13-9-7-12(8-10-13)15-14(16(18)22-17(15)19)11-5-3-2-4-6-11/h2-10,17,19H,1H3/i19+2
InChIKey NCBVUSNBLYMFPP-SPLUINJESA-N
Literature Reference Author T.A.BAILLIE,R.A.HALPIN,B.K.MATUSZEWSKI,L.A.GEER,C.M.CHAVEZ-E NG,D.DEAN,M.BRAUN,G.
Literature Reference Citation DRUG.MET.DISP.,29,1614(2001)
Molecular Weight 332.355 g/mol
Source File Reference UWLU74402