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5-(1-ADAMANTYL)-4-(4,5-METHOXY-2-NITROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
SpectraBase Compound ID KUxQn18hthN
InChI InChI=1S/C21H25N5O4S/c1-29-17-6-15(16(26(27)28)7-18(17)30-2)11-22-25-19(23-24-20(25)31)21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,24,31)/b22-11+/t12-,13+,14-,21-
InChIKey DEYZLMRWCHDUGW-ATJMIPAXSA-N
Mol Weight 443.52 g/mol
Molecular Formula C21H25N5O4S
Exact Mass 443.162725 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID B8hJU0ROvmO
Name 5-(1-ADAMANTYL)-4-(4,5-METHOXY-2-NITROBENZYLIDENEAMINO)-3-MERCAPTO-1,2,4-TRIAZOLE
Compound Number 6V
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H25N5O4S
InChI InChI=1S/C21H25N5O4S/c1-29-17-6-15(16(26(27)28)7-18(17)30-2)11-22-25-19(23-24-20(25)31)21-8-12-3-13(9-21)5-14(4-12)10-21/h6-7,11-14H,3-5,8-10H2,1-2H3,(H,24,31)/b22-11+/t12-,13+,14-,21-
InChIKey DEYZLMRWCHDUGW-ATJMIPAXSA-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 443.521 g/mol
Sample ID 70290
Solvent Unknown