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5-(1-ADAMANTYL)-4-(2-HYDROXYBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID 3RAtgzO9NQ4
InChI InChI=1S/C28H37N5O3S/c1-2-36-25(35)22-7-9-31(10-8-22)18-32-27(37)33(29-17-23-5-3-4-6-24(23)34)26(30-32)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,17,19-22,34H,2,7-16,18H2,1H3/b29-17+/t19-,20+,21-,28-
InChIKey LIIWORXZZDJQGN-NREQENDOSA-N
Mol Weight 523.7 g/mol
Molecular Formula C28H37N5O3S
Exact Mass 523.261711 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQz1i8NYvTm
Name 5-(1-ADAMANTYL)-4-(2-HYDROXYBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H37N5O3S
InChI InChI=1S/C28H37N5O3S/c1-2-36-25(35)22-7-9-31(10-8-22)18-32-27(37)33(29-17-23-5-3-4-6-24(23)34)26(30-32)28-14-19-11-20(15-28)13-21(12-19)16-28/h3-6,17,19-22,34H,2,7-16,18H2,1H3/b29-17+/t19-,20+,21-,28-
InChIKey LIIWORXZZDJQGN-NREQENDOSA-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 523.693 g/mol
Sample ID 70311
Solvent Unknown