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5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 3hZhrqbeRt5
InChI InChI=1S/C27H34Cl2N6O2S/c1-2-37-26(36)33-8-6-32(7-9-33)17-34-25(38)35(30-16-21-22(28)4-3-5-23(21)29)24(31-34)27-13-18-10-19(14-27)12-20(11-18)15-27/h3-5,16,18-20H,2,6-15,17H2,1H3/b30-16+/t18-,19+,20-,27-
InChIKey KHESTQRXTCQUPN-PPACVDTASA-N
Mol Weight 577.6 g/mol
Molecular Formula C27H34Cl2N6O2S
Exact Mass 576.184101 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6HFYzc36gyI
Name 5-(1-ADAMANTYL)-4-(2,6-DICHLOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERAZINYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 7K
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H34Cl2N6O2S
InChI InChI=1S/C27H34Cl2N6O2S/c1-2-37-26(36)33-8-6-32(7-9-33)17-34-25(38)35(30-16-21-22(28)4-3-5-23(21)29)24(31-34)27-13-18-10-19(14-27)12-20(11-18)15-27/h3-5,16,18-20H,2,6-15,17H2,1H3/b30-16+/t18-,19+,20-,27-
InChIKey KHESTQRXTCQUPN-PPACVDTASA-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 577.572 g/mol
Sample ID 70301
Solvent Unknown