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5-(1-ADAMANTYL)-4-(2,4-DICHLOROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
SpectraBase Compound ID AVAKFgVCZjW
InChI InChI=1S/C19H20Cl2N4S/c20-15-2-1-14(16(21)6-15)10-22-25-17(23-24-18(25)26)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,10-13H,3-5,7-9H2,(H,24,26)/b22-10+/t11-,12+,13-,19-
InChIKey DQVNPSYOTWKMGL-DKSHOBPCSA-N
Mol Weight 407.36 g/mol
Molecular Formula C19H20Cl2N4S
Exact Mass 406.078573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIulukJEBP6
Name 5-(1-ADAMANTYL)-4-(2,4-DICHLOROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
Compound Number 6R
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20Cl2N4S
InChI InChI=1S/C19H20Cl2N4S/c20-15-2-1-14(16(21)6-15)10-22-25-17(23-24-18(25)26)19-7-11-3-12(8-19)5-13(4-11)9-19/h1-2,6,10-13H,3-5,7-9H2,(H,24,26)/b22-10+/t11-,12+,13-,19-
InChIKey DQVNPSYOTWKMGL-DKSHOBPCSA-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 407.361 g/mol
Sample ID 70286
Solvent Unknown