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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-bromo-4,6-difluorophenyl)acetamide

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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-bromo-4,6-difluorophenyl)acetamide
SpectraBase Compound ID HfVZcJWj7Vi
InChI InChI=1S/C20H14BrF2N5OS/c21-15-6-13(22)7-16(23)18(15)27-17(29)10-30-20-14-8-26-28(19(14)24-11-25-20)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,27,29)
InChIKey IBFHQGRKVCOKNI-UHFFFAOYSA-N
Mol Weight 490.33 g/mol
Molecular Formula C20H14BrF2N5OS
Exact Mass 489.007051 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Eb7W4RbPi3T
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-(2-bromo-4,6-difluorophenyl)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/C20H14BrF2N5OS/c21-15-6-13(22)7-16(23)18(15)27-17(29)10-30-20-14-8-26-28(19(14)24-11-25-20)9-12-4-2-1-3-5-12/h1-8,11H,9-10H2,(H,27,29)
InChIKey IBFHQGRKVCOKNI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26206
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: D62510; Labnumber: UDSG-06733; SBI_ID: SBI-026210
Temperature 308 °C