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5-(1-ADAMANTYL)-4-BENZYLIDENEAMINO-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 2rDVGP1tskc
InChI InChI=1S/C28H37N5O2S/c1-2-35-25(34)24-8-10-31(11-9-24)19-32-27(36)33(29-18-20-6-4-3-5-7-20)26(30-32)28-15-21-12-22(16-28)14-23(13-21)17-28/h3-7,18,21-24H,2,8-17,19H2,1H3/b29-18+/t21-,22+,23-,28-
InChIKey GWEOVCJMBBGILZ-OXXGSOFJSA-N
Mol Weight 507.7 g/mol
Molecular Formula C28H37N5O2S
Exact Mass 507.266797 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9EMCT0L1AKg
Name 5-(1-ADAMANTYL)-4-BENZYLIDENEAMINO-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37N5O2S
InChI InChI=1S/C28H37N5O2S/c1-2-35-25(34)24-8-10-31(11-9-24)19-32-27(36)33(29-18-20-6-4-3-5-7-20)26(30-32)28-15-21-12-22(16-28)14-23(13-21)17-28/h3-7,18,21-24H,2,8-17,19H2,1H3/b29-18+/t21-,22+,23-,28-
InChIKey GWEOVCJMBBGILZ-OXXGSOFJSA-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 507.694 g/mol
Sample ID 70307
Solvent Unknown