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6-[(PARA-PHENYL)-PHENYL]-3-(D-GLUCO-PENTITOL-1-YL)-7H-1,2,4-TRIAZOLO-[3,4-B]-[1,3,4]-THIADIAZINE
SpectraBase Compound ID CSG31gX9QZj
InChI InChI=1S/C21H22N4O5S/c26-10-16(27)17(28)18(29)19(30)20-22-23-21-25(20)24-15(11-31-21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16-19,26-30H,10-11H2/t16-,17-,18+,19-/m0/s1
InChIKey UQFRQQKLWRHQTG-OKYOBFRVSA-N
Mol Weight 442.49 g/mol
Molecular Formula C21H22N4O5S
Exact Mass 442.131091 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4SN1KX8E5QT
Name 6-[(PARA-PHENYL)-PHENYL]-3-(D-GLUCO-PENTITOL-1-YL)-7H-1,2,4-TRIAZOLO-[3,4-B]-[1,3,4]-THIADIAZINE
Compound Number 3G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H22N4O5S
InChI InChI=1S/C21H22N4O5S/c26-10-16(27)17(28)18(29)19(30)20-22-23-21-25(20)24-15(11-31-21)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9,16-19,26-30H,10-11H2/t16-,17-,18+,19-/m0/s1
InChIKey UQFRQQKLWRHQTG-OKYOBFRVSA-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 442.489 g/mol
Sample ID 52669
Solvent DMSO-D6