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5-(1-ADAMANTYL)-4-(4-DIMETHYLAMINOBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
SpectraBase Compound ID FDlMeg81vr3
InChI InChI=1S/C21H27N5S/c1-25(2)18-5-3-14(4-6-18)13-22-26-19(23-24-20(26)27)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,13,15-17H,7-12H2,1-2H3,(H,24,27)/b22-13+/t15-,16+,17-,21-
InChIKey GEQUAEWXRDEMDG-HLXCLBEESA-N
Mol Weight 381.54 g/mol
Molecular Formula C21H27N5S
Exact Mass 381.198717 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 583ccLLHIY0
Name 5-(1-ADAMANTYL)-4-(4-DIMETHYLAMINOBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
Compound Number 6N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H27N5S
InChI InChI=1S/C21H27N5S/c1-25(2)18-5-3-14(4-6-18)13-22-26-19(23-24-20(26)27)21-10-15-7-16(11-21)9-17(8-15)12-21/h3-6,13,15-17H,7-12H2,1-2H3,(H,24,27)/b22-13+/t15-,16+,17-,21-
InChIKey GEQUAEWXRDEMDG-HLXCLBEESA-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 381.539 g/mol
Sample ID 70282
Solvent Unknown