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benzoic acid, 4-[3-methyl-6-tricyclo[3.3.1.1~3,7~]dec-1-yl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]-
SpectraBase Compound ID D8lDbWb72eU
InChI InChI=1S/C25H24F3N3O2/c1-13-21-19(25(26,27)28)9-20(24-10-14-6-15(11-24)8-16(7-14)12-24)29-22(21)31(30-13)18-4-2-17(3-5-18)23(32)33/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,32,33)/t14-,15+,16-,24-
InChIKey WNDYLUHJPDPVBX-FNTHXKTLSA-N
Mol Weight 455.48 g/mol
Molecular Formula C25H24F3N3O2
Exact Mass 455.182062 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3oCiKXoDMYs
Name benzoic acid, 4-[3-methyl-6-tricyclo[3.3.1.1~3,7~]dec-1-yl-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/C25H24F3N3O2/c1-13-21-19(25(26,27)28)9-20(24-10-14-6-15(11-24)8-16(7-14)12-24)29-22(21)31(30-13)18-4-2-17(3-5-18)23(32)33/h2-5,9,14-16H,6-8,10-12H2,1H3,(H,32,33)/t14-,15+,16-,24-
InChIKey WNDYLUHJPDPVBX-FNTHXKTLSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_23067
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: 2264720; UZI_ID: UZI-023075
Temperature 308 °C