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3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-1-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 8IdMlu22fZy
InChI InChI=1S/C18H14F5N3O/c1-26-16-14(15(25-26)10-2-3-10)12(18(21,22)23)8-13(24-16)9-4-6-11(7-5-9)27-17(19)20/h4-8,10,17H,2-3H2,1H3
InChIKey OCLWIHBIFDAEIR-UHFFFAOYSA-N
Mol Weight 383.32 g/mol
Molecular Formula C18H14F5N3O
Exact Mass 383.105703 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5BuRnjWB11l
Name 3-cyclopropyl-6-[4-(difluoromethoxy)phenyl]-1-methyl-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/C18H14F5N3O/c1-26-16-14(15(25-26)10-2-3-10)12(18(21,22)23)8-13(24-16)9-4-6-11(7-5-9)27-17(19)20/h4-8,10,17H,2-3H2,1H3
InChIKey OCLWIHBIFDAEIR-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31818
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: 1843398; SBI_ID: SBI-031822
Synonyms 4-[3-cyclopropyl-1-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-6-yl]phenyl difluoromethyl ether
Temperature 318 °C