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phenylalanine, N-[3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-oxopropyl]-, ethyl ester
SpectraBase Compound ID 583C5J3hQQe
InChI InChI=1S/C31H36N4O3/c1-7-38-31(37)27(18-24-11-9-8-10-12-24)33-28(36)16-15-26-21(4)29-23(6)34-35(30(29)32-22(26)5)25-14-13-19(2)20(3)17-25/h8-14,17,27H,7,15-16,18H2,1-6H3,(H,33,36)
InChIKey FKAVYPIUJBBDSL-UHFFFAOYSA-N
Mol Weight 512.7 g/mol
Molecular Formula C31H36N4O3
Exact Mass 512.278741 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FwUPA5RVSJN
Name phenylalanine, N-[3-[1-(3,4-dimethylphenyl)-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl]-1-oxopropyl]-, ethyl 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 512.278741032 u
Formula C31H36N4O3
InChI InChI=1S/C31H36N4O3/c1-7-38-31(37)27(18-24-11-9-8-10-12-24)33-28(36)16-15-26-21(4)29-23(6)34-35(30(29)32-22(26)5)25-14-13-19(2)20(3)17-25/h8-14,17,27H,7,15-16,18H2,1-6H3,(H,33,36)
InChIKey FKAVYPIUJBBDSL-UHFFFAOYSA-N
Molecular Weight 512.654 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_6160
Solvent DMSO-d6
Source Vendor ID: NMR/12718645