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6-(PARA-BROMOPHENYL)-3-(D-GLUCO-PENTITOL-1-YL)-7H-1,2,4-TRIAZOLO-[3,4-B]-[1,3,4]-THIADIAZINE
SpectraBase Compound ID pB2aivfrkD
InChI InChI=1S/C15H17BrN4O5S/c16-8-3-1-7(2-4-8)9-6-26-15-18-17-14(20(15)19-9)13(25)12(24)11(23)10(22)5-21/h1-4,10-13,21-25H,5-6H2/t10-,11-,12+,13-/m0/s1
InChIKey RJDQWHBPRKHSHC-RVMXOQNASA-N
Mol Weight 445.29 g/mol
Molecular Formula C15H17BrN4O5S
Exact Mass 444.010304 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GLhqUU5TNpJ
Name 6-(PARA-BROMOPHENYL)-3-(D-GLUCO-PENTITOL-1-YL)-7H-1,2,4-TRIAZOLO-[3,4-B]-[1,3,4]-THIADIAZINE
Compound Number 3E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H17BrN4O5S
InChI InChI=1S/C15H17BrN4O5S/c16-8-3-1-7(2-4-8)9-6-26-15-18-17-14(20(15)19-9)13(25)12(24)11(23)10(22)5-21/h1-4,10-13,21-25H,5-6H2/t10-,11-,12+,13-/m0/s1
InChIKey RJDQWHBPRKHSHC-RVMXOQNASA-N
Literature Reference Author A.ZHANG,L.ZHANG,X.LEI
Literature Reference Citation MAGN.RES.CHEM.,44,813(2006)
Literature Reference DOI 10.1002/mrc.1829
Molecular Weight 445.288 g/mol
Sample ID 52667
Solvent DMSO-D6