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2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)acetamide
SpectraBase Compound ID 6dNNK9DIUqh
InChI InChI=1S/C22H20BrN5OS/c1-14(2)15-3-7-17(8-4-15)27-20(29)12-30-22-19-11-26-28(21(19)24-13-25-22)18-9-5-16(23)6-10-18/h3-11,13-14H,12H2,1-2H3,(H,27,29)
InChIKey VMXCHRHOSLLBQU-UHFFFAOYSA-N
Mol Weight 482.4 g/mol
Molecular Formula C22H20BrN5OS
Exact Mass 481.057194 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Nrp0pC6dyl
Name 2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-(4-isopropylphenyl)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/C22H20BrN5OS/c1-14(2)15-3-7-17(8-4-15)27-20(29)12-30-22-19-11-26-28(21(19)24-13-25-22)18-9-5-16(23)6-10-18/h3-11,13-14H,12H2,1-2H3,(H,27,29)
InChIKey VMXCHRHOSLLBQU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10022
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: D62433; Labnumber: UDSG-06465; SBI_ID: SBI-010025
Temperature 318 °C