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N-(2-tert-butylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
SpectraBase Compound ID 8ldSXd31Ed2
InChI InChI=1S/C23H23N5OS/c1-23(2,3)18-11-7-8-12-19(18)27-20(29)14-30-22-17-13-26-28(21(17)24-15-25-22)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3,(H,27,29)
InChIKey ICWFQXMMQGGHFM-UHFFFAOYSA-N
Mol Weight 417.53 g/mol
Molecular Formula C23H23N5OS
Exact Mass 417.162332 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4PM74CXGtOc
Name N-(2-tert-butylphenyl)-2-[(1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]acetamide
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/C23H23N5OS/c1-23(2,3)18-11-7-8-12-19(18)27-20(29)14-30-22-17-13-26-28(21(17)24-15-25-22)16-9-5-4-6-10-16/h4-13,15H,14H2,1-3H3,(H,27,29)
InChIKey ICWFQXMMQGGHFM-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9878
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: D62129; Labnumber: UDSG-05777; SBI_ID: SBI-009881
Temperature 315 °C