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5-(1-ADAMANTYL)-4-(2,4-DINITROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
SpectraBase Compound ID FzyDV7gYBt6
InChI InChI=1S/C19H20N6O4S/c26-24(27)15-2-1-14(16(6-15)25(28)29)10-20-23-17(21-22-18(23)30)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,10-13H,3-5,7-9H2,(H,22,30)/b20-10+/t11-,12+,13-,19-
InChIKey ZIVAMUFXKNGKGV-PULHGSNGSA-N
Mol Weight 428.47 g/mol
Molecular Formula C19H20N6O4S
Exact Mass 428.126674 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8q6FsAe4r9J
Name 5-(1-ADAMANTYL)-4-(2,4-DINITROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
Compound Number 6U
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20N6O4S
InChI InChI=1S/C19H20N6O4S/c26-24(27)15-2-1-14(16(6-15)25(28)29)10-20-23-17(21-22-18(23)30)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,10-13H,3-5,7-9H2,(H,22,30)/b20-10+/t11-,12+,13-,19-
InChIKey ZIVAMUFXKNGKGV-PULHGSNGSA-N
Literature Reference Author M.A.AL-OMAR,E.S.AL-ABDULLAH,I.A.SHEHATA,E.E.HABIB,T.M.IBRAHI M,A.A.EL-EMAM
Literature Reference Citation MOLECULES,15,2526(2010)
Literature Reference DOI 10.3390/molecules15042526
Molecular Weight 428.466 g/mol
Sample ID 70289
Solvent Unknown