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5-(1-ADAMANTYL)-4-(2-CHLORO-6-FLUOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
SpectraBase Compound ID H05IusbE93U
InChI InChI=1S/C28H35ClFN5O2S/c1-2-37-25(36)21-6-8-33(9-7-21)17-34-27(38)35(31-16-22-23(29)4-3-5-24(22)30)26(32-34)28-13-18-10-19(14-28)12-20(11-18)15-28/h3-5,16,18-21H,2,6-15,17H2,1H3/b31-16+/t18-,19+,20-,28-
InChIKey OMFXABLRWVRUOV-SHHLFUQGSA-N
Mol Weight 560.1 g/mol
Molecular Formula C28H35ClFN5O2S
Exact Mass 559.218402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 748ce2xV5Un
Name 5-(1-ADAMANTYL)-4-(2-CHLORO-6-FLUOROBENZYLIDENEAMINO)-2-(4-ETHOXYCARBONYL-1-PIPERIDYLMETHYL)-1,2,4-TRIAZOLINE-3-THIONE
Compound Number 8I
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H35ClFN5O2S
InChI InChI=1S/C28H35ClFN5O2S/c1-2-37-25(36)21-6-8-33(9-7-21)17-34-27(38)35(31-16-22-23(29)4-3-5-24(22)30)26(32-34)28-13-18-10-19(14-28)12-20(11-18)15-28/h3-5,16,18-21H,2,6-15,17H2,1H3/b31-16+/t18-,19+,20-,28-
InChIKey OMFXABLRWVRUOV-SHHLFUQGSA-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 560.130 g/mol
Sample ID 70315
Solvent Unknown