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1-(2,4,6-Trimethyl-phenyl)-2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydro-6(1H)-pyridazinone

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1-(2,4,6-Trimethyl-phenyl)-2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydro-6(1H)-pyridazinone
SpectraBase Compound ID GksbiZnVJSz
InChI InChI=1S/C21H18F6N2O/c1-12-9-13(2)17(14(3)10-12)29-16(30)11-19(20(22,23)24,21(25,26)27)28-18(29)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKey MXWFMGNVJWYPAJ-UHFFFAOYSA-N
Mol Weight 428.38 g/mol
Molecular Formula C21H18F6N2O
Exact Mass 428.132332 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5FudAw6syzD
Name 1-(2,4,6-Trimethyl-phenyl)-2-phenyl-4,4-bis(trifluoromethyl)-4,5-dihydro-6(1H)-pyridazinone
CAS Registry Number 107364-35-2
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C21H18F6N2O
InChI InChI=1S/C21H18F6N2O/c1-12-9-13(2)17(14(3)10-12)29-16(30)11-19(20(22,23)24,21(25,26)27)28-18(29)15-7-5-4-6-8-15/h4-10H,11H2,1-3H3
InChIKey MXWFMGNVJWYPAJ-UHFFFAOYSA-N
Instrument Name Jeol FX-90
Literature Reference K. Burger, E. Huber, N. Sewald, H. Partscht, Chemiker-Zeitung 110, 83 (1986).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3