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isopropyl 4-({[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate
SpectraBase Compound ID TsQmZqRBg1
InChI InChI=1S/C25H22F2N4O3/c1-14(2)34-25(33)17-8-10-18(11-9-17)29-24(32)19-13-28-31-21(22(26)27)12-20(30-23(19)31)16-6-4-15(3)5-7-16/h4-14,22H,1-3H3,(H,29,32)
InChIKey QELBDUQRQRSGPF-UHFFFAOYSA-N
Mol Weight 464.47 g/mol
Molecular Formula C25H22F2N4O3
Exact Mass 464.165997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BwP7MCVrj3h
Name isopropyl 4-({[7-(difluoromethyl)-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C25H22F2N4O3/c1-14(2)34-25(33)17-8-10-18(11-9-17)29-24(32)19-13-28-31-21(22(26)27)12-20(30-23(19)31)16-6-4-15(3)5-7-16/h4-14,22H,1-3H3,(H,29,32)
InChIKey QELBDUQRQRSGPF-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_3828
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: 9319470; UBI_ID: UBI-003829
Temperature 308 °C