For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID Cqw0RUHRmEb
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 8D
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 X.LIU,R.YAN,N.CHEN,W.XU,M.T.MOLINA,S.VEGA
Literature Reference Citation MOLECULES,11,827(2006)
Literature Reference DOI 10.3390/11110827
Molecular Weight 451.327 g/mol
Sample ID 38659
Solvent DMSO-D6