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NTOUBTUZXJSGKB-UHFFFAOYSA-N
SpectraBase Compound ID 7ek5f7IzFqE
InChI InChI=1S/C21H21N3O4/c1-4-28-21(25)20-15(3)22-23(17-11-9-14(2)10-12-17)19(20)13-16-7-5-6-8-18(16)24(26)27/h5-12H,4,13H2,1-3H3
InChIKey NTOUBTUZXJSGKB-UHFFFAOYSA-N
Mol Weight 379.42 g/mol
Molecular Formula C21H21N3O4
Exact Mass 379.153206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1YBcK1xna9X
Name ETHYL-1-(4-TOLYL)-3-METHYL-5-(2-NITROBENZYL)-PYRAZOLE-4-CARBOXYLATE
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C21H21N3O4
InChI InChI=1S/C21H21N3O4/c1-4-28-21(25)20-15(3)22-23(17-11-9-14(2)10-12-17)19(20)13-16-7-5-6-8-18(16)24(26)27/h5-12H,4,13H2,1-3H3
InChIKey NTOUBTUZXJSGKB-UHFFFAOYSA-N
Literature Reference Author F.MELANI,L.CECCHI,G.PALAZZINO,G.FILACCHIONI
Literature Reference Citation J.HETCYCL.CHEM.,22,1109(1985)
Literature Reference DOI 10.1002/jhet.5570220437
Molecular Weight 379.415 g/mol
Solvent DMSO-D6
Source File Reference UWCS5123