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5-(1-ADAMANTYL)-4-(3,4-DICHLOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 12MaMrrZj3M
InChI InChI=1S/C28H35Cl2N5O2S/c1-2-37-25(36)22-5-7-33(8-6-22)17-34-27(38)35(31-16-18-3-4-23(29)24(30)12-18)26(32-34)28-13-19-9-20(14-28)11-21(10-19)15-28/h3-4,12,16,19-22H,2,5-11,13-15,17H2,1H3/b31-16+/t19-,20+,21-,28-
InChIKey ASXBKLQTLZGPAB-GWKBMHSFSA-N
Mol Weight 576.6 g/mol
Molecular Formula C28H35Cl2N5O2S
Exact Mass 575.188852 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DNTthJhFJdS
Name 5-(1-ADAMANTYL)-4-(3,4-DICHLOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35Cl2N5O2S
InChI InChI=1S/C28H35Cl2N5O2S/c1-2-37-25(36)22-5-7-33(8-6-22)17-34-27(38)35(31-16-18-3-4-23(29)24(30)12-18)26(32-34)28-13-19-9-20(14-28)11-21(10-19)15-28/h3-4,12,16,19-22H,2,5-11,13-15,17H2,1H3/b31-16+/t19-,20+,21-,28-
InChIKey ASXBKLQTLZGPAB-GWKBMHSFSA-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 576.584 g/mol
Sample ID 70318
Solvent Unknown