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1H-pyrazolo[3,4-d]pyrimidin-4-amine, N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)-
SpectraBase Compound ID AyGmit8QRPB
InChI InChI=1S/C20H17N5O2/c1-13-3-2-4-15(7-13)25-20-16(10-24-25)19(22-11-23-20)21-9-14-5-6-17-18(8-14)27-12-26-17/h2-8,10-11H,9,12H2,1H3,(H,21,22,23)
InChIKey IRLOMICYHIARJL-UHFFFAOYSA-N
Mol Weight 359.39 g/mol
Molecular Formula C20H17N5O2
Exact Mass 359.138225 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1eaLMiMpOjg
Name 1H-pyrazolo[3,4-d]pyrimidin-4-amine, N-(1,3-benzodioxol-5-ylmethyl)-1-(3-methylphenyl)-
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/C20H17N5O2/c1-13-3-2-4-15(7-13)25-20-16(10-24-25)19(22-11-23-20)21-9-14-5-6-17-18(8-14)27-12-26-17/h2-8,10-11H,9,12H2,1H3,(H,21,22,23)
InChIKey IRLOMICYHIARJL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6643
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: NMR/10278648