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2-(PARA-CHLOROBENZYL)-4-(ORTHO-BROMOBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID HmUYUgUoLma
InChI InChI=1S/C19H16BrClN4O3S/c1-23-18-17(10-22-23)24(12-14-4-2-3-5-16(14)20)19(26)25(29(18,27)28)11-13-6-8-15(21)9-7-13/h2-10H,11-12H2,1H3
InChIKey BJZPJXNPHKPSDJ-UHFFFAOYSA-N
Mol Weight 495.78 g/mol
Molecular Formula C19H16BrClN4O3S
Exact Mass 493.981502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D88GYPBp5rS
Name 2-(PARA-CHLOROBENZYL)-4-(ORTHO-BROMOBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 3N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16BrClN4O3S
InChI InChI=1S/C19H16BrClN4O3S/c1-23-18-17(10-22-23)24(12-14-4-2-3-5-16(14)20)19(26)25(29(18,27)28)11-13-6-8-15(21)9-7-13/h2-10H,11-12H2,1H3
InChIKey BJZPJXNPHKPSDJ-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 495.778 g/mol
Source File Reference UWLU75333