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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
SpectraBase Compound ID JZ9RHaEFLLN
InChI InChI=1S/C20H13ClF3N5O2/c21-15-7-6-12(20(22,23)24)8-16(15)27-17(30)10-28-11-25-18-14(19(28)31)9-26-29(18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,27,30)
InChIKey DMFNOZGKHJYLRN-UHFFFAOYSA-N
Mol Weight 447.81 g/mol
Molecular Formula C20H13ClF3N5O2
Exact Mass 447.070987 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Inhz4vsiXrk
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)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/C20H13ClF3N5O2/c21-15-7-6-12(20(22,23)24)8-16(15)27-17(30)10-28-11-25-18-14(19(28)31)9-26-29(18)13-4-2-1-3-5-13/h1-9,11H,10H2,(H,27,30)
InChIKey DMFNOZGKHJYLRN-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34029
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: 1998304; SBI_ID: SBI-034033
Temperature 297 °C