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5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-(4-ETHYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 1MhWtlViA6g
InChI InChI=1S/C26H34Cl2N6S/c1-2-31-6-8-32(9-7-31)17-33-25(35)34(29-16-21-22(27)4-3-5-23(21)28)24(30-33)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-5,16,18-20H,2,6-15,17H2,1H3/b29-16+/t18-,19+,20-,26-
InChIKey QROFPYAHWYNZHR-QYLYNJKVSA-N
Mol Weight 533.6 g/mol
Molecular Formula C26H34Cl2N6S
Exact Mass 532.194272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KCNGj8SrsHS
Name 5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-(4-ETHYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7J
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H34Cl2N6S
InChI InChI=1S/C26H34Cl2N6S/c1-2-31-6-8-32(9-7-31)17-33-25(35)34(29-16-21-22(27)4-3-5-23(21)28)24(30-33)26-13-18-10-19(14-26)12-20(11-18)15-26/h3-5,16,18-20H,2,6-15,17H2,1H3/b29-16+/t18-,19+,20-,26-
InChIKey QROFPYAHWYNZHR-QYLYNJKVSA-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 533.562 g/mol
Sample ID 70300
Solvent Unknown