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5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-(4-BENZYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID GPgfidqITUv
InChI InChI=1S/C31H36Cl2N6S/c32-27-7-4-8-28(33)26(27)19-34-39-29(31-16-23-13-24(17-31)15-25(14-23)18-31)35-38(30(39)40)21-37-11-9-36(10-12-37)20-22-5-2-1-3-6-22/h1-8,19,23-25H,9-18,20-21H2/b34-19+/t23-,24+,25-,31-
InChIKey YRLCTIBGBBPAIP-RJLXREJWSA-N
Mol Weight 595.6 g/mol
Molecular Formula C31H36Cl2N6S
Exact Mass 594.209922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9Z0uKnHtEBP
Name 5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-(4-BENZYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36Cl2N6S
InChI InChI=1S/C31H36Cl2N6S/c32-27-7-4-8-28(33)26(27)19-34-39-29(31-16-23-13-24(17-31)15-25(14-23)18-31)35-38(30(39)40)21-37-11-9-36(10-12-37)20-22-5-2-1-3-6-22/h1-8,19,23-25H,9-18,20-21H2/b34-19+/t23-,24+,25-,31-
InChIKey YRLCTIBGBBPAIP-RJLXREJWSA-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 595.633 g/mol
Sample ID 70306
Solvent Unknown