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A,A-Bis(1,5-dimethyl-3-hydroxy-2-phenyl-pyrazol-4-yl)-4-dimethylamino-toluene trication
SpectraBase Compound ID 9NAYjwMrTXM
InChI InChI=1S/C31H33N5O2/c1-21-27(30(37)35(33(21)5)25-13-9-7-10-14-25)29(23-17-19-24(20-18-23)32(3)4)28-22(2)34(6)36(31(28)38)26-15-11-8-12-16-26/h7-20,29H,1-6H3/p+3
InChIKey XGFOIYKDPANXQH-UHFFFAOYSA-Q
Mol Weight 510.7 g/mol
Molecular Formula C31H36N5O2
Exact Mass 510.2869 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JuGWj8GK8Do
Name A,A-Bis(1,5-dimethyl-3-hydroxy-2-phenyl-pyrazol-4-yl)-4-dimethylamino-toluene trication
Comments tetrafluoroborate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H36N5O2
InChI InChI=1S/C31H33N5O2/c1-21-27(30(37)35(33(21)5)25-13-9-7-10-14-25)29(23-17-19-24(20-18-23)32(3)4)28-22(2)34(6)36(31(28)38)26-15-11-8-12-16-26/h7-20,29H,1-6H3/p+3
InChIKey XGFOIYKDPANXQH-UHFFFAOYSA-Q
Instrument Name Bruker WH-400
Literature Reference E. Akguen, U. Pindur, Monatsh. Chem. 115, 197 (1984).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6