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1-(3-bromobenzoyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
SpectraBase Compound ID IvWrAicFXLD
InChI InChI=1S/C18H14BrF3N4O5/c19-13-3-1-2-11(8-13)17(27)24-6-4-23(5-7-24)16-14(25(28)29)9-12(18(20,21)22)10-15(16)26(30)31/h1-3,8-10H,4-7H2
InChIKey IAKIYSZFLDEAAI-UHFFFAOYSA-N
Mol Weight 503.23 g/mol
Molecular Formula C18H14BrF3N4O5
Exact Mass 502.009967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KEn3kMOqtaq
Name 1-(3-bromobenzoyl)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]piperazine
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/C18H14BrF3N4O5/c19-13-3-1-2-11(8-13)17(27)24-6-4-23(5-7-24)16-14(25(28)29)9-12(18(20,21)22)10-15(16)26(30)31/h1-3,8-10H,4-7H2
InChIKey IAKIYSZFLDEAAI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_5896
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/11241358; Labnumber: LP-2501807; IOH_ID: IOH-005897