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2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID 8tVgNQb995R
InChI InChI=1S/C22H20BrN5OS/c1-13-8-14(2)20(15(3)9-13)27-19(29)11-30-22-18-10-26-28(21(18)24-12-25-22)17-6-4-16(23)5-7-17/h4-10,12H,11H2,1-3H3,(H,27,29)
InChIKey KRBMJRBHSQASPG-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 2XUgKxCcgng
Name 2-{[1-(4-bromophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}-N-mesitylacetamide
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/c1-13-8-14(2)20(15(3)9-13)27-19(29)11-30-22-18-10-26-28(21(18)24-12-25-22)17-6-4-16(23)5-7-17/h4-10,12H,11H2,1-3H3,(H,27,29)
InChIKey KRBMJRBHSQASPG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10016
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: D62421; Labnumber: UDSG-06448; SBI_ID: SBI-010019
Temperature 318 °C