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5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-(4-METHYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 8nvphutC4T2
InChI InChI=1S/C25H32F2N6S/c1-30-5-7-31(8-6-30)16-32-24(34)33(28-15-20-21(26)3-2-4-22(20)27)23(29-32)25-12-17-9-18(13-25)11-19(10-17)14-25/h2-4,15,17-19H,5-14,16H2,1H3/b28-15+/t17-,18+,19-,25-
InChIKey GFFACEDVRDNLMS-QPOBWVHLSA-N
Mol Weight 486.6 g/mol
Molecular Formula C25H32F2N6S
Exact Mass 486.237723 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FaGfvkVWvez
Name 5-(1-ADAMANTYL)-4-(2,6-DIFLUOROBENZYLIDENEAMINO)-2-(4-METHYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32F2N6S
InChI InChI=1S/C25H32F2N6S/c1-30-5-7-31(8-6-30)16-32-24(34)33(28-15-20-21(26)3-2-4-22(20)27)23(29-32)25-12-17-9-18(13-25)11-19(10-17)14-25/h2-4,15,17-19H,5-14,16H2,1H3/b28-15+/t17-,18+,19-,25-
InChIKey GFFACEDVRDNLMS-QPOBWVHLSA-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 486.626 g/mol
Sample ID 70291
Solvent Unknown