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(4-ISOPROPYL-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-2-THIOPHENECARBOXYLATE
SpectraBase Compound ID BM1qzFiKzU0
InChI InChI=1S/C18H18N2O2S/c1-12(2)16-13(3)19-20(14-8-5-4-6-9-14)17(16)22-18(21)15-10-7-11-23-15/h4-12H,1-3H3
InChIKey ZEMYDNWKOZMKBH-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C18H18N2O2S
Exact Mass 326.108899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A70okUTcXKO
Name (4-ISOPROPYL-3-METHYL-1-PHENYL-1H-PYRAZOL-5-YL)-2-THIOPHENECARBOXYLATE
Compound Number 4C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18N2O2S
InChI InChI=1S/C18H18N2O2S/c1-12(2)16-13(3)19-20(14-8-5-4-6-9-14)17(16)22-18(21)15-10-7-11-23-15/h4-12H,1-3H3
InChIKey ZEMYDNWKOZMKBH-UHFFFAOYSA-N
Literature Reference Author H.MARUOKA,K.YAMAGATA,F.OKABE,Y.TOMIOKA
Literature Reference Citation J.HETCYCL.CHEM.,43,859(2006)
Literature Reference DOI 10.1002/jhet.5570430408
Molecular Weight 326.413 g/mol
Sample ID 67527
Solvent CDCl3