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5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-[4-(3-TRIFLUOROMETHYLPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE

View entire compound with spectra: 1 NMR

5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-[4-(3-TRIFLUOROMETHYLPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 7vyeishJ4gt
InChI InChI=1S/C31H33F5N6S/c32-26-5-2-6-27(33)25(26)18-37-42-28(30-15-20-11-21(16-30)13-22(12-20)17-30)38-41(29(42)43)19-39-7-9-40(10-8-39)24-4-1-3-23(14-24)31(34,35)36/h1-6,14,18,20-22H,7-13,15-17,19H2/b37-18+/t20-,21+,22-,30-
InChIKey BSPDQABKNWGHTF-UPKJIQFXSA-N
Mol Weight 616.7 g/mol
Molecular Formula C31H33F5N6S
Exact Mass 616.240757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 78DqTlJtkc1
Name 5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-[4-(3-TRIFLUOROMETHYLPHENYL)-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7F
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C31H33F5N6S
InChI InChI=1S/C31H33F5N6S/c32-26-5-2-6-27(33)25(26)18-37-42-28(30-15-20-11-21(16-30)13-22(12-20)17-30)38-41(29(42)43)19-39-7-9-40(10-8-39)24-4-1-3-23(14-24)31(34,35)36/h1-6,14,18,20-22H,7-13,15-17,19H2/b37-18+/t20-,21+,22-,30-
InChIKey BSPDQABKNWGHTF-UPKJIQFXSA-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 616.695 g/mol
Sample ID 70296
Solvent Unknown