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4-ETHOXYTHIOCARBONYL-5-HYDROXY-3-METHYL-1-(N-OCTYL)-PYRAZOLE
SpectraBase Compound ID I5E700iYP6b
InChI InChI=1S/C15H26N2O2S/c1-4-6-7-8-9-10-11-17-14(18)13(12(3)16-17)15(20)19-5-2/h18H,4-11H2,1-3H3
InChIKey ODDNXFDDUWYNED-UHFFFAOYSA-N
Mol Weight 298.45 g/mol
Molecular Formula C15H26N2O2S
Exact Mass 298.171499 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7L64A3Un4qB
Name 4-ETHOXYTHIOCARBONYL-5-HYDROXY-3-METHYL-1-(N-OCTYL)-PYRAZOLE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C15H26N2O2S
InChI InChI=1S/C15H26N2O2S/c1-4-6-7-8-9-10-11-17-14(18)13(12(3)16-17)15(20)19-5-2/h18H,4-11H2,1-3H3
InChIKey ODDNXFDDUWYNED-UHFFFAOYSA-N
Literature Reference Author R.LOPEZ,G.LEON,A.OLIVA
Literature Reference Citation J.HETCYCL.CHEM.,32,1377(1995)
Literature Reference DOI 10.1002/jhet.5570320445
Molecular Weight 298.444 g/mol
Solvent CDCl3
Source File Reference UWGE1523