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2-[PARA-(TERT.BUTYL)-BENZYL]-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
SpectraBase Compound ID wyPTXSjLp0
InChI InChI=1S/C23H25ClN4O3S/c1-23(2,3)18-11-9-16(10-12-18)14-28-22(29)27(15-17-7-5-6-8-19(17)24)20-13-25-26(4)21(20)32(28,30)31/h5-13H,14-15H2,1-4H3
InChIKey XBIOHGSEVMCVAK-UHFFFAOYSA-N
Mol Weight 472.99 g/mol
Molecular Formula C23H25ClN4O3S
Exact Mass 472.13359 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 43LZaIbOjx6
Name 2-[PARA-(TERT.BUTYL)-BENZYL]-4-(ORTHO-CHLOROBENZYL)-7-METHYL-1,1,3-TRIOXO-2H,4H-PYRAZOLO-[4,5-E]-[1,2,4]-THIADIAZINE
Compound Number 3H
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C23H25ClN4O3S
InChI InChI=1S/C23H25ClN4O3S/c1-23(2,3)18-11-9-16(10-12-18)14-28-22(29)27(15-17-7-5-6-8-19(17)24)20-13-25-26(4)21(20)32(28,30)31/h5-13H,14-15H2,1-4H3
InChIKey XBIOHGSEVMCVAK-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 472.989 g/mol
Source File Reference UWLU75330