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5-(1-ADAMANTYL)-4-(3,4-DIMETHOXYBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID FH5XVEWx3Pw
InChI InChI=1S/C30H41N5O4S/c1-4-39-27(36)24-7-9-33(10-8-24)19-34-29(40)35(31-18-20-5-6-25(37-2)26(14-20)38-3)28(32-34)30-15-21-11-22(16-30)13-23(12-21)17-30/h5-6,14,18,21-24H,4,7-13,15-17,19H2,1-3H3/b31-18+/t21-,22+,23-,30-
InChIKey FLKIAJYTDXJLGT-IRYNNICMSA-N
Mol Weight 567.7 g/mol
Molecular Formula C30H41N5O4S
Exact Mass 567.287926 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Yhjf6likTq
Name 5-(1-ADAMANTYL)-4-(3,4-DIMETHOXYBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8M
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C30H41N5O4S
InChI InChI=1S/C30H41N5O4S/c1-4-39-27(36)24-7-9-33(10-8-24)19-34-29(40)35(31-18-20-5-6-25(37-2)26(14-20)38-3)28(32-34)30-15-21-11-22(16-30)13-23(12-21)17-30/h5-6,14,18,21-24H,4,7-13,15-17,19H2,1-3H3/b31-18+/t21-,22+,23-,30-
InChIKey FLKIAJYTDXJLGT-IRYNNICMSA-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 567.747 g/mol
Sample ID 70319
Solvent Unknown