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4-(5-BROMOPENTYLDITHIOCARBOXYLATE)-1-DODECYL-5-HYDROXY-3-METHYLPYRAZOLE
SpectraBase Compound ID y41ew2YRwT
InChI InChI=1S/C22H39BrN2OS2/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(26)20(19(2)24-25)22(27)28-18-15-12-13-16-23/h26H,3-18H2,1-2H3
InChIKey KJCSMUCTPIZTRO-UHFFFAOYSA-N
Mol Weight 491.6 g/mol
Molecular Formula C22H39BrN2OS2
Exact Mass 490.168719 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JoHPC7bE9Gk
Name 4-(5-BROMOPENTYLDITHIOCARBOXYLATE)-1-DODECYL-5-HYDROXY-3-METHYLPYRAZOLE
Compound Number 2C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H39BrN2OS2
InChI InChI=1S/C22H39BrN2OS2/c1-3-4-5-6-7-8-9-10-11-14-17-25-21(26)20(19(2)24-25)22(27)28-18-15-12-13-16-23/h26H,3-18H2,1-2H3
InChIKey KJCSMUCTPIZTRO-UHFFFAOYSA-N
Literature Reference Author C.AVILA,M.F.FLORES,A.MOLINARI,A.OLIVA
Literature Reference Citation J.HETCYCL.CHEM.,42,595(2005)
Literature Reference DOI 10.1002/jhet.5570420419
Molecular Weight 491.588 g/mol
Sample ID 61056
Solvent CDCl3