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5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-(4-PHENYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 8Km9AgRCD7f
InChI InChI=1S/C30H34F2N6S/c31-26-7-4-8-27(32)25(26)19-33-38-28(30-16-21-13-22(17-30)15-23(14-21)18-30)34-37(29(38)39)20-35-9-11-36(12-10-35)24-5-2-1-3-6-24/h1-8,19,21-23H,9-18,20H2/b33-19+/t21-,22+,23-,30-
InChIKey KMUQLTZBUNCZDY-RBLKFASHSA-N
Mol Weight 548.7 g/mol
Molecular Formula C30H34F2N6S
Exact Mass 548.253373 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Iz5zY8Z9L1W
Name 5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-(4-PHENYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H34F2N6S
InChI InChI=1S/C30H34F2N6S/c31-26-7-4-8-27(32)25(26)19-33-38-28(30-16-21-13-22(17-30)15-23(14-21)18-30)34-37(29(38)39)20-35-9-11-36(12-10-35)24-5-2-1-3-6-24/h1-8,19,21-23H,9-18,20H2/b33-19+/t21-,22+,23-,30-
InChIKey KMUQLTZBUNCZDY-RBLKFASHSA-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 548.697 g/mol
Sample ID 70294
Solvent Unknown