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1,5-BIS-(4-DITHIOCARBOXYLATE-5-HYDROXY-3-METHYL-1-PHENYLPYRAZOLYL)-PENTANE
SpectraBase Compound ID 69arqAF738e
InChI InChI=1S/C27H28N4O2S4/c1-18-22(24(32)30(28-18)20-12-6-3-7-13-20)26(34)36-16-10-5-11-17-37-27(35)23-19(2)29-31(25(23)33)21-14-8-4-9-15-21/h3-4,6-9,12-15,32-33H,5,10-11,16-17H2,1-2H3
InChIKey JFRGXYKBWHEDMR-UHFFFAOYSA-N
Mol Weight 568.8 g/mol
Molecular Formula C27H28N4O2S4
Exact Mass 568.109511 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jpx5oXBuvX0
Name 1,5-BIS-(4-DITHIOCARBOXYLATE-5-HYDROXY-3-METHYL-1-PHENYLPYRAZOLYL)-PENTANE
Compound Number 6B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C27H28N4O2S4
InChI InChI=1S/C27H28N4O2S4/c1-18-22(24(32)30(28-18)20-12-6-3-7-13-20)26(34)36-16-10-5-11-17-37-27(35)23-19(2)29-31(25(23)33)21-14-8-4-9-15-21/h3-4,6-9,12-15,32-33H,5,10-11,16-17H2,1-2H3
InChIKey JFRGXYKBWHEDMR-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 568.785 g/mol
Sample ID 61057
Solvent CDCl3