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1,3-benzenedicarboxylic acid, 5-[[1-oxo-3-(3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propyl]amino]-, dimethyl ester
SpectraBase Compound ID FFIo3JBlvMX
InChI InChI=1S/C28H28N4O5/c1-16-23(17(2)29-26-25(16)18(3)31-32(26)22-9-7-6-8-10-22)11-12-24(33)30-21-14-19(27(34)36-4)13-20(15-21)28(35)37-5/h6-10,13-15H,11-12H2,1-5H3,(H,30,33)
InChIKey YTAXRWKXUDMFBM-UHFFFAOYSA-N
Mol Weight 500.56 g/mol
Molecular Formula C28H28N4O5
Exact Mass 500.20597 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4DnCTtfgWiq
Name 1,3-benzenedicarboxylic acid, 5-[[1-oxo-3-(3,4,6-trimethyl-1-phenyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propyl]amino]-, dimethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 500.205970013 u
Formula C28H28N4O5
InChI InChI=1S/C28H28N4O5/c1-16-23(17(2)29-26-25(16)18(3)31-32(26)22-9-7-6-8-10-22)11-12-24(33)30-21-14-19(27(34)36-4)13-20(15-21)28(35)37-5/h6-10,13-15H,11-12H2,1-5H3,(H,30,33)
InChIKey YTAXRWKXUDMFBM-UHFFFAOYSA-N
Molecular Weight 500.555 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6648
Solvent DMSO-d6
Source Vendor ID: NMR/12709882