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4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(4-fluorophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 61mxlbCUaIi
InChI InChI=1S/C22H15ClF3N3/c23-22(25,26)17-12-18(13-8-10-15(24)11-9-13)27-21-19(17)20(14-6-7-14)28-29(21)16-4-2-1-3-5-16/h1-5,8-12,14H,6-7H2
InChIKey HDDPHVYMZAFCEM-UHFFFAOYSA-N
Mol Weight 413.83 g/mol
Molecular Formula C22H15ClF3N3
Exact Mass 413.09066 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DmTOv0Mj7DY
Name 4-[chloro(difluoro)methyl]-3-cyclopropyl-6-(4-fluorophenyl)-1-phenyl-1H-pyrazolo[3,4-b]pyridine
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/C22H15ClF3N3/c23-22(25,26)17-12-18(13-8-10-15(24)11-9-13)27-21-19(17)20(14-6-7-14)28-29(21)16-4-2-1-3-5-16/h1-5,8-12,14H,6-7H2
InChIKey HDDPHVYMZAFCEM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31009
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: 1728233; SBI_ID: SBI-031013
Temperature 318 °C