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DATUMETINE
SpectraBase Compound ID H5cgtD7li60
InChI InChI=1S/C16H21NO3/c1-17-12-5-6-13(17)10-15(9-12)20-16(18)11-3-7-14(19-2)8-4-11/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3/t12-,13+,15-
InChIKey JOROTINCCHPFDK-AGGWBTHJSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5rJehtLG35v
Name DATUMETINE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-17-12-5-6-13(17)10-15(9-12)20-16(18)11-3-7-14(19-2)8-4-11/h3-4,7-8,12-13,15H,5-6,9-10H2,1-2H3/t12-,13+,15-
InChIKey JOROTINCCHPFDK-AGGWBTHJSA-N
Literature Reference Author K.JENETT-SIEMS,R.WEIGL,A.BOEHM,P.MANN,B.TOFERN-REBLIN,S.C.OT T,A.GHOMIAN,M.KALOGA
Literature Reference Citation PHYTOCHEM.,66,1448(2005)
Literature Reference DOI 10.1016/j.phytochem.2005.04.027
Molecular Weight 275.348 g/mol
Solvent CDCl3
Source File Reference UWMZ25009