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Bis(1,5-dimethyl-3(2H)-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-dimethylamino-phenyl)-methane cation

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Bis(1,5-dimethyl-3(2H)-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-dimethylamino-phenyl)-methane cation
SpectraBase Compound ID 9NAWrnN32eG
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+1
InChIKey XGFOIYKDPANXQH-UHFFFAOYSA-O
Mol Weight 508.6 g/mol
Molecular Formula C31H34N5O2
Exact Mass 508.27125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EW3sZVf1k42
Name Bis(1,5-dimethyl-3(2H)-oxo-2-phenyl-1H-pyrazol-4-yl)-(4-dimethylamino-phenyl)-methane cation
Comments perchlorate
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C31H34N5O2
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+1
InChIKey XGFOIYKDPANXQH-UHFFFAOYSA-O
Instrument Name Varian XL-100
Literature Reference E. Akguen, T. Kaempchen, U. Pindur, Monatsh. Chem. 114, 219 (1983).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6