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benzoic acid, 4-[6-(1,3-benzodioxol-5-yl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID F37OFI0U6GL
InChI InChI=1S/C22H15F2N3O4/c1-11-19-15(20(23)24)9-16(13-4-7-17-18(8-13)31-10-30-17)25-21(19)27(26-11)14-5-2-12(3-6-14)22(28)29/h2-9,20H,10H2,1H3,(H,28,29)
InChIKey WENBYUABUPJUPH-UHFFFAOYSA-N
Mol Weight 423.38 g/mol
Molecular Formula C22H15F2N3O4
Exact Mass 423.103062 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8zA4Lia4RXx
Name benzoic acid, 4-[6-(1,3-benzodioxol-5-yl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-
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/C22H15F2N3O4/c1-11-19-15(20(23)24)9-16(13-4-7-17-18(8-13)31-10-30-17)25-21(19)27(26-11)14-5-2-12(3-6-14)22(28)29/h2-9,20H,10H2,1H3,(H,28,29)
InChIKey WENBYUABUPJUPH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22810
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: 2242886; UZI_ID: UZI-022818
Temperature 308 °C