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1,5-BIS-(4-DITHIOCARBOXYLATE-1-DODECYL-5-HYDROXY-3-METHYLPYRAZOLYL)-PENTANE
SpectraBase Compound ID Dx0rq0ubwHG
InChI InChI=1S/C39H68N4O2S4/c1-5-7-9-11-13-15-17-19-21-24-28-42-36(44)34(32(3)40-42)38(46)48-30-26-23-27-31-49-39(47)35-33(4)41-43(37(35)45)29-25-22-20-18-16-14-12-10-8-6-2/h44-45H,5-31H2,1-4H3
InChIKey AHJRRWLDQPUTCA-UHFFFAOYSA-N
Mol Weight 753.2 g/mol
Molecular Formula C39H68N4O2S4
Exact Mass 752.422512 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AOcSnmqKmhX
Name 1,5-BIS-(4-DITHIOCARBOXYLATE-1-DODECYL-5-HYDROXY-3-METHYLPYRAZOLYL)-PENTANE
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C39H68N4O2S4
InChI InChI=1S/C39H68N4O2S4/c1-5-7-9-11-13-15-17-19-21-24-28-42-36(44)34(32(3)40-42)38(46)48-30-26-23-27-31-49-39(47)35-33(4)41-43(37(35)45)29-25-22-20-18-16-14-12-10-8-6-2/h44-45H,5-31H2,1-4H3
InChIKey AHJRRWLDQPUTCA-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 753.235 g/mol
Sample ID 61058
Solvent CDCl3