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2-(PARA-CHLOROBENZYL)-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID 2zHHskJFtxW
InChI InChI=1S/C19H16Cl2N4O3S/c1-23-18-17(10-22-23)24(12-14-4-2-3-5-16(14)21)19(26)25(29(18,27)28)11-13-6-8-15(20)9-7-13/h2-10H,11-12H2,1H3
InChIKey BRDKAXFLGVAGHC-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 9fRYS2oKsQT
Name 2-(PARA-CHLOROBENZYL)-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 3B
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(12-14-4-2-3-5-16(14)21)19(26)25(29(18,27)28)11-13-6-8-15(20)9-7-13/h2-10H,11-12H2,1H3
InChIKey BRDKAXFLGVAGHC-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 UWLU75324