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5-(1-ADAMANTYL)-4-(2-CHLOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 2cjasMPHnk4
InChI InChI=1S/C28H36ClN5O2S/c1-2-36-25(35)22-7-9-32(10-8-22)18-33-27(37)34(30-17-23-5-3-4-6-24(23)29)26(31-33)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,17,19-22H,2,7-16,18H2,1H3/b30-17+/t19-,20+,21-,28-
InChIKey JVNXQSTUCUSAGL-APMAQZNNSA-N
Mol Weight 542.1 g/mol
Molecular Formula C28H36ClN5O2S
Exact Mass 541.227824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQtsw7AJ6gP
Name 5-(1-ADAMANTYL)-4-(2-CHLOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H36ClN5O2S
InChI InChI=1S/C28H36ClN5O2S/c1-2-36-25(35)22-7-9-32(10-8-22)18-33-27(37)34(30-17-23-5-3-4-6-24(23)29)26(31-33)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,17,19-22H,2,7-16,18H2,1H3/b30-17+/t19-,20+,21-,28-
InChIKey JVNXQSTUCUSAGL-APMAQZNNSA-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 542.139 g/mol
Sample ID 70309
Solvent Unknown