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GPFOVHMAGLEEDW-UHFFFAOYSA-N
SpectraBase Compound ID E2d1DjOvzFw
InChI InChI=1S/C23H18ClN5OS/c1-14-19-20(18(12-25)21(27-14)31-2)28-23(26-13-15-8-10-16(24)11-9-15)29(22(19)30)17-6-4-3-5-7-17/h3-11H,13H2,1-2H3,(H,26,28)
InChIKey GPFOVHMAGLEEDW-UHFFFAOYSA-N
Mol Weight 447.94 g/mol
Molecular Formula C23H18ClN5OS
Exact Mass 447.092059 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LhjwkoRjYfQ
Name GPFOVHMAGLEEDW-UHFFFAOYSA-N
Compound Number III-1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H18ClN5OS
InChI InChI=1S/C23H18ClN5OS/c1-14-19-20(18(12-25)21(27-14)31-2)28-23(26-13-15-8-10-16(24)11-9-15)29(22(19)30)17-6-4-3-5-7-17/h3-11H,13H2,1-2H3,(H,26,28)
InChIKey GPFOVHMAGLEEDW-UHFFFAOYSA-N
Literature Reference Author G.XU,J.SONG,J.HE,Q.REN,W.MO,H.XU,S.SUN,H.HE,Y.CUI
Literature Reference Citation MAGN.RES.CHEM.,50,646(2012)
Literature Reference DOI 10.1002/mrc.3853
Molecular Weight 447.942 g/mol
Solvent CDCl3
Source File Reference UWLU82293