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1,4-piperazinediacetamide, N~1~-(2-fluorophenyl)-N~4~-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID 4SHOvnD39BF
InChI InChI=1S/C21H22F4N4O2/c22-16-6-2-4-8-18(16)27-20(31)14-29-11-9-28(10-12-29)13-19(30)26-17-7-3-1-5-15(17)21(23,24)25/h1-8H,9-14H2,(H,26,30)(H,27,31)
InChIKey PHCVTZRJWDTFSV-UHFFFAOYSA-N
Mol Weight 438.43 g/mol
Molecular Formula C21H22F4N4O2
Exact Mass 438.167889 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B9l9QDSlIyh
Name 1,4-piperazinediacetamide, N~1~-(2-fluorophenyl)-N~4~-[2-(trifluoromethyl)phenyl]-
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/C21H22F4N4O2/c22-16-6-2-4-8-18(16)27-20(31)14-29-11-9-28(10-12-29)13-19(30)26-17-7-3-1-5-15(17)21(23,24)25/h1-8H,9-14H2,(H,26,30)(H,27,31)
InChIKey PHCVTZRJWDTFSV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6151
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: NMR/12219799