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2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 7hXPSJYmm5C
InChI InChI=1S/C22H15F6N5OS/c23-21(24,25)14-6-15(22(26,27)28)8-16(7-14)32-18(34)11-35-20-17-9-31-33(19(17)29-12-30-20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,32,34)
InChIKey GVJRZPLNGPQZBP-UHFFFAOYSA-N
Mol Weight 511.45 g/mol
Molecular Formula C22H15F6N5OS
Exact Mass 511.09015 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FdjGZaZajGl
Name 2-[(1-benzyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl]-N-[3,5-bis(trifluoromethyl)phenyl]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/C22H15F6N5OS/c23-21(24,25)14-6-15(22(26,27)28)8-16(7-14)32-18(34)11-35-20-17-9-31-33(19(17)29-12-30-20)10-13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,32,34)
InChIKey GVJRZPLNGPQZBP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_26203
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: D62507; Labnumber: UDSG-06728; SBI_ID: SBI-026207
Temperature 308 °C