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5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-[4-(2-METHOXYPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID FhHFwIzkKs6
InChI InChI=1S/C31H36F2N6OS/c1-40-28-8-3-2-7-27(28)37-11-9-36(10-12-37)20-38-30(41)39(34-19-24-25(32)5-4-6-26(24)33)29(35-38)31-16-21-13-22(17-31)15-23(14-21)18-31/h2-8,19,21-23H,9-18,20H2,1H3/b34-19+/t21-,22+,23-,31-
InChIKey JELDMXZGTBGZPH-UBHIMEFCSA-N
Mol Weight 578.7 g/mol
Molecular Formula C31H36F2N6OS
Exact Mass 578.263937 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jk4xaaU6fcF
Name 5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-[4-(2-METHOXYPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H36F2N6OS
InChI InChI=1S/C31H36F2N6OS/c1-40-28-8-3-2-7-27(28)37-11-9-36(10-12-37)20-38-30(41)39(34-19-24-25(32)5-4-6-26(24)33)29(35-38)31-16-21-13-22(17-31)15-23(14-21)18-31/h2-8,19,21-23H,9-18,20H2,1H3/b34-19+/t21-,22+,23-,31-
InChIKey JELDMXZGTBGZPH-UBHIMEFCSA-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 578.723 g/mol
Sample ID 70297
Solvent Unknown