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4-(5-BROMOPENTYLDITHIOCARBOXYLATE)-5-HYDROXY-3-METHYL-1-PHENYLPYRAZOLE
SpectraBase Compound ID Frw7qRIRPTG
InChI InChI=1S/C16H19BrN2OS2/c1-12-14(16(21)22-11-7-3-6-10-17)15(20)19(18-12)13-8-4-2-5-9-13/h2,4-5,8-9,20H,3,6-7,10-11H2,1H3
InChIKey GMBRPABTDVSBJT-UHFFFAOYSA-N
Mol Weight 399.37 g/mol
Molecular Formula C16H19BrN2OS2
Exact Mass 398.012219 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IOBCpyrV3Fx
Name 4-(5-BROMOPENTYLDITHIOCARBOXYLATE)-5-HYDROXY-3-METHYL-1-PHENYLPYRAZOLE
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19BrN2OS2
InChI InChI=1S/C16H19BrN2OS2/c1-12-14(16(21)22-11-7-3-6-10-17)15(20)19(18-12)13-8-4-2-5-9-13/h2,4-5,8-9,20H,3,6-7,10-11H2,1H3
InChIKey GMBRPABTDVSBJT-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 399.364 g/mol
Sample ID 61055
Solvent CDCl3