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5-(1-ADAMANTYL)-4-(2-FLUOROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
SpectraBase Compound ID AUXHJY6GXW
InChI InChI=1S/C19H21FN4S/c20-16-4-2-1-3-15(16)11-21-24-17(22-23-18(24)25)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,23,25)/b21-11+/t12-,13+,14-,19-
InChIKey MCIYGTQGXDUQAL-OYVIKXFXSA-N
Mol Weight 356.46 g/mol
Molecular Formula C19H21FN4S
Exact Mass 356.147096 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6yW2Y93vUXr
Name 5-(1-ADAMANTYL)-4-(2-FLUOROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H21FN4S
InChI InChI=1S/C19H21FN4S/c20-16-4-2-1-3-15(16)11-21-24-17(22-23-18(24)25)19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,23,25)/b21-11+/t12-,13+,14-,19-
InChIKey MCIYGTQGXDUQAL-OYVIKXFXSA-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 356.461 g/mol
Sample ID 70270
Solvent Unknown