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2-(2,4-DICHLOROBENZYL)-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID L4eVT5Ge3Vf
InChI InChI=1S/C19H15Cl3N4O3S/c1-24-18-17(9-23-24)25(10-12-4-2-3-5-15(12)21)19(27)26(30(18,28)29)11-13-6-7-14(20)8-16(13)22/h2-9H,10-11H2,1H3
InChIKey RITQBMGDKGQUGD-UHFFFAOYSA-N
Mol Weight 485.77 g/mol
Molecular Formula C19H15Cl3N4O3S
Exact Mass 483.993045 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jn2DW1pQO40
Name 2-(2,4-DICHLOROBENZYL)-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 3C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H15Cl3N4O3S
InChI InChI=1S/C19H15Cl3N4O3S/c1-24-18-17(9-23-24)25(10-12-4-2-3-5-15(12)21)19(27)26(30(18,28)29)11-13-6-7-14(20)8-16(13)22/h2-9H,10-11H2,1H3
InChIKey RITQBMGDKGQUGD-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 485.772 g/mol
Source File Reference UWLU75325