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6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
SpectraBase Compound ID 6uqcqJTq1KY
InChI InChI=1S/C29H28N4O3/c1-29(2,3)21-11-13-23(14-12-21)36-18-20-16-19(10-15-25(20)35-4)26-31-27-24(28(34)32-26)17-30-33(27)22-8-6-5-7-9-22/h5-17H,18H2,1-4H3,(H,31,32,34)
InChIKey KIQKTXQUNDBRRC-UHFFFAOYSA-N
Mol Weight 480.57 g/mol
Molecular Formula C29H28N4O3
Exact Mass 480.216141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1hO0FTuP8N2
Name 6-{3-[(4-tert-butylphenoxy)methyl]-4-methoxyphenyl}-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
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/C29H28N4O3/c1-29(2,3)21-11-13-23(14-12-21)36-18-20-16-19(10-15-25(20)35-4)26-31-27-24(28(34)32-26)17-30-33(27)22-8-6-5-7-9-22/h5-17H,18H2,1-4H3,(H,31,32,34)
InChIKey KIQKTXQUNDBRRC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3394
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: D10213; Labnumber: KHAN-1007; SBI_ID: SBI-003396
Temperature 308 °C