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1-(2,4,6-Trichloro-phenyl)-4-(4-N,N-diethylamino-2-tolylimino)-3-methyl-2-pyrazolin-5-one
SpectraBase Compound ID GvWn2mzQSx6
InChI InChI=1S/C21H21Cl3N4O/c1-5-27(6-2)15-7-8-18(12(3)9-15)25-19-13(4)26-28(21(19)29)20-16(23)10-14(22)11-17(20)24/h7-11H,5-6H2,1-4H3/b25-19-
InChIKey FDSRQICAWBXVEE-PLRJNAJWSA-N
Mol Weight 451.79 g/mol
Molecular Formula C21H21Cl3N4O
Exact Mass 450.078094 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CGFvSJNSnmM
Name 1-(2,4,6-Trichloro-phenyl)-4-(4-N,N-diethylamino-2-tolylimino)-3-methyl-2-pyrazolin-5-one
Comments BRUKER MSL-300 SPECTROMETER
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H21Cl3N4O
InChI InChI=1S/C21H21Cl3N4O/c1-5-27(6-2)15-7-8-18(12(3)9-15)25-19-13(4)26-28(21(19)29)20-16(23)10-14(22)11-17(20)24/h7-11H,5-6H2,1-4H3/b25-19-
InChIKey FDSRQICAWBXVEE-PLRJNAJWSA-N
Instrument Name see comment
Literature Reference R. Haessner, L. Hennig, J. Gaca, Magn. Res. Chem. 28, 817 (1990).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3