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2,4-DI-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID K2CjLuDL3QM
InChI InChI=1S/C19H16Cl2N4O3S/c1-23-18-17(10-22-23)24(11-13-6-2-4-8-15(13)20)19(26)25(29(18,27)28)12-14-7-3-5-9-16(14)21/h2-10H,11-12H2,1H3
InChIKey DAMVWINZCKFIAX-UHFFFAOYSA-N
Mol Weight 451.33 g/mol
Molecular Formula C19H16Cl2N4O3S
Exact Mass 450.032017 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IosgKkulXMB
Name 2,4-DI-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 3A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16Cl2N4O3S
InChI InChI=1S/C19H16Cl2N4O3S/c1-23-18-17(10-22-23)24(11-13-6-2-4-8-15(13)20)19(26)25(29(18,27)28)12-14-7-3-5-9-16(14)21/h2-10H,11-12H2,1H3
InChIKey DAMVWINZCKFIAX-UHFFFAOYSA-N
Literature Reference Author P.ZHAN,R.YAN,X.LIU,C.PANNECOUQUE,M.WITVROUW,E.DECLERCQ,M.T.M OLINA,S.VEGA
Literature Reference Citation DRUG.DISC.THER.,5,279(2011)
Molecular Weight 451.327 g/mol
Source File Reference UWLU75323