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2-BENZYL-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE

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2-BENZYL-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID 3Ns6sISqTC6
InChI InChI=1S/C19H17ClN4O3S/c1-22-18-17(11-21-22)23(13-15-9-5-6-10-16(15)20)19(25)24(28(18,26)27)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKey FZENYZPNIOAKRW-UHFFFAOYSA-N
Mol Weight 416.88 g/mol
Molecular Formula C19H17ClN4O3S
Exact Mass 416.070989 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nHdBNKZrf3
Name 2-BENZYL-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 8B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H17ClN4O3S
InChI InChI=1S/C19H17ClN4O3S/c1-22-18-17(11-21-22)23(13-15-9-5-6-10-16(15)20)19(25)24(28(18,26)27)12-14-7-3-2-4-8-14/h2-11H,12-13H2,1H3
InChIKey FZENYZPNIOAKRW-UHFFFAOYSA-N
Literature Reference Author X.LIU,R.YAN,N.CHEN,W.XU,M.T.MOLINA,S.VEGA
Literature Reference Citation MOLECULES,11,827(2006)
Literature Reference DOI 10.3390/11110827
Molecular Weight 416.882 g/mol
Sample ID 38657
Solvent CDCl3