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5-(1-ADAMANTYL)-4-(4-METHOXYBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 3PhbJLK3zIJ
InChI InChI=1S/C29H39N5O3S/c1-3-37-26(35)24-8-10-32(11-9-24)19-33-28(38)34(30-18-20-4-6-25(36-2)7-5-20)27(31-33)29-15-21-12-22(16-29)14-23(13-21)17-29/h4-7,18,21-24H,3,8-17,19H2,1-2H3/b30-18+/t21-,22+,23-,29-
InChIKey FLAWVLILNXYPJA-WAMAGAHQSA-N
Mol Weight 537.7 g/mol
Molecular Formula C29H39N5O3S
Exact Mass 537.277361 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AG6kDxMgiPQ
Name 5-(1-ADAMANTYL)-4-(4-METHOXYBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8G
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H39N5O3S
InChI InChI=1S/C29H39N5O3S/c1-3-37-26(35)24-8-10-32(11-9-24)19-33-28(38)34(30-18-20-4-6-25(36-2)7-5-20)27(31-33)29-15-21-12-22(16-29)14-23(13-21)17-29/h4-7,18,21-24H,3,8-17,19H2,1-2H3/b30-18+/t21-,22+,23-,29-
InChIKey FLAWVLILNXYPJA-WAMAGAHQSA-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 537.720 g/mol
Sample ID 70313
Solvent Unknown