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benzoic acid, 4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID DTO73HbrZxm
InChI InChI=1S/C23H16F3N3O4/c1-12-20-16(23(24,25)26)11-17(14-4-7-18-19(10-14)33-9-8-32-18)27-21(20)29(28-12)15-5-2-13(3-6-15)22(30)31/h2-7,10-11H,8-9H2,1H3,(H,30,31)
InChIKey TWHRSDMUMMXRPJ-UHFFFAOYSA-N
Mol Weight 455.39 g/mol
Molecular Formula C23H16F3N3O4
Exact Mass 455.10929 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CC2FspXPBs7
Name benzoic acid, 4-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-4-(trifluoromethyl)-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/C23H16F3N3O4/c1-12-20-16(23(24,25)26)11-17(14-4-7-18-19(10-14)33-9-8-32-18)27-21(20)29(28-12)15-5-2-13(3-6-15)22(30)31/h2-7,10-11H,8-9H2,1H3,(H,30,31)
InChIKey TWHRSDMUMMXRPJ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_22593
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: 2227272; UZI_ID: UZI-022601
Temperature 308 °C