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1,4-piperazinediacetamide, N~1~-(4-bromophenyl)-N~4~-[3-(trifluoromethyl)phenyl]-
SpectraBase Compound ID EwQ93VjY88q
InChI InChI=1S/C21H22BrF3N4O2/c22-16-4-6-17(7-5-16)26-19(30)13-28-8-10-29(11-9-28)14-20(31)27-18-3-1-2-15(12-18)21(23,24)25/h1-7,12H,8-11,13-14H2,(H,26,30)(H,27,31)
InChIKey VHWRRTWZPPFYPT-UHFFFAOYSA-N
Mol Weight 499.33 g/mol
Molecular Formula C21H22BrF3N4O2
Exact Mass 498.087823 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2i5PujRjfWz
Name 1,4-piperazinediacetamide, N~1~-(4-bromophenyl)-N~4~-[3-(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/C21H22BrF3N4O2/c22-16-4-6-17(7-5-16)26-19(30)13-28-8-10-29(11-9-28)14-20(31)27-18-3-1-2-15(12-18)21(23,24)25/h1-7,12H,8-11,13-14H2,(H,26,30)(H,27,31)
InChIKey VHWRRTWZPPFYPT-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6143
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/12219782