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5-(1-ADAMANTYL)-4-(4-METHYLBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID H4BzXzUEv74
InChI InChI=1S/C29H39N5O2S/c1-3-36-26(35)25-8-10-32(11-9-25)19-33-28(37)34(30-18-21-6-4-20(2)5-7-21)27(31-33)29-15-22-12-23(16-29)14-24(13-22)17-29/h4-7,18,22-25H,3,8-17,19H2,1-2H3/b30-18+/t22-,23+,24-,29-
InChIKey NUWAFHQDKODULR-UMOKWLGSSA-N
Mol Weight 521.7 g/mol
Molecular Formula C29H39N5O2S
Exact Mass 521.282447 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KwM6vrZCson
Name 5-(1-ADAMANTYL)-4-(4-METHYLBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8D
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C29H39N5O2S
InChI InChI=1S/C29H39N5O2S/c1-3-36-26(35)25-8-10-32(11-9-25)19-33-28(37)34(30-18-21-6-4-20(2)5-7-21)27(31-33)29-15-22-12-23(16-29)14-24(13-22)17-29/h4-7,18,22-25H,3,8-17,19H2,1-2H3/b30-18+/t22-,23+,24-,29-
InChIKey NUWAFHQDKODULR-UMOKWLGSSA-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 521.721 g/mol
Sample ID 70310
Solvent Unknown