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3-cyclopropyl-6-(5-methyl-2-thienyl)-1-phenyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID DQh5mGdamXp
InChI InChI=1S/C21H16F3N3S/c1-12-7-10-17(28-12)16-11-15(21(22,23)24)18-19(13-8-9-13)26-27(20(18)25-16)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3
InChIKey POOADWHBGJPQCH-UHFFFAOYSA-N
Mol Weight 399.44 g/mol
Molecular Formula C21H16F3N3S
Exact Mass 399.101703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3I0OX597vLs
Name 3-cyclopropyl-6-(5-methyl-2-thienyl)-1-phenyl-4-(trifluoromethyl)-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/C21H16F3N3S/c1-12-7-10-17(28-12)16-11-15(21(22,23)24)18-19(13-8-9-13)26-27(20(18)25-16)14-5-3-2-4-6-14/h2-7,10-11,13H,8-9H2,1H3
InChIKey POOADWHBGJPQCH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30910
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: 1728047; SBI_ID: SBI-030914
Temperature 318 °C