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5-(1-ADAMANTYL)-4-(3,4-DIMETHOXYBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
SpectraBase Compound ID 48xxvzp7pps
InChI InChI=1S/C21H26N4O2S/c1-26-17-4-3-13(8-18(17)27-2)12-22-25-19(23-24-20(25)28)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,12,14-16H,5-7,9-11H2,1-2H3,(H,24,28)/b22-12+/t14-,15+,16-,21-
InChIKey DBJRGMSTENQAAV-UFYJRFJQSA-N
Mol Weight 398.53 g/mol
Molecular Formula C21H26N4O2S
Exact Mass 398.177647 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 510Czs8F974
Name 5-(1-ADAMANTYL)-4-(3,4-DIMETHOXYBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
Compound Number 6T
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H26N4O2S
InChI InChI=1S/C21H26N4O2S/c1-26-17-4-3-13(8-18(17)27-2)12-22-25-19(23-24-20(25)28)21-9-14-5-15(10-21)7-16(6-14)11-21/h3-4,8,12,14-16H,5-7,9-11H2,1-2H3,(H,24,28)/b22-12+/t14-,15+,16-,21-
InChIKey DBJRGMSTENQAAV-UFYJRFJQSA-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 398.523 g/mol
Sample ID 70288
Solvent Unknown