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benzoic acid, 4-[6-(4-bromophenyl)-4-(difluoromethyl)-3-methyl-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID 72GRJjectPj
InChI InChI=1S/C21H14BrF2N3O2/c1-11-18-16(19(23)24)10-17(12-2-6-14(22)7-3-12)25-20(18)27(26-11)15-8-4-13(5-9-15)21(28)29/h2-10,19H,1H3,(H,28,29)
InChIKey JTDNULNRVUNTQR-UHFFFAOYSA-N
Mol Weight 458.26 g/mol
Molecular Formula C21H14BrF2N3O2
Exact Mass 457.023746 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HzH8PL1ionB
Name benzoic acid, 4-[6-(4-bromophenyl)-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/C21H14BrF2N3O2/c1-11-18-16(19(23)24)10-17(12-2-6-14(22)7-3-12)25-20(18)27(26-11)15-8-4-13(5-9-15)21(28)29/h2-10,19H,1H3,(H,28,29)
InChIKey JTDNULNRVUNTQR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22725
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: 2237191; UZI_ID: UZI-022733
Temperature 308 °C