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5-(1-ADAMANTYL)-4-(2-CHLORO-6-FLUOROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
SpectraBase Compound ID J7ydEtX2omY
InChI InChI=1S/C19H20ClFN4S/c20-15-2-1-3-16(21)14(15)10-22-25-17(23-24-18(25)26)19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,10-13H,4-9H2,(H,24,26)/b22-10+/t11-,12+,13-,19-
InChIKey USXUAYOQXINWJS-DKSHOBPCSA-N
Mol Weight 390.91 g/mol
Molecular Formula C19H20ClFN4S
Exact Mass 390.108124 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jumi73KRUL4
Name 5-(1-ADAMANTYL)-4-(2-CHLORO-6-FLUOROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
Compound Number 6P
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H20ClFN4S
InChI InChI=1S/C19H20ClFN4S/c20-15-2-1-3-16(21)14(15)10-22-25-17(23-24-18(25)26)19-7-11-4-12(8-19)6-13(5-11)9-19/h1-3,10-13H,4-9H2,(H,24,26)/b22-10+/t11-,12+,13-,19-
InChIKey USXUAYOQXINWJS-DKSHOBPCSA-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 390.906 g/mol
Sample ID 70284
Solvent Unknown