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1-((4-nitrophenyl)sulfonyl)-4-(2-(trifluoromethyl)benzyl)piperazine oxalate

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1-((4-nitrophenyl)sulfonyl)-4-(2-(trifluoromethyl)benzyl)piperazine oxalate
SpectraBase Compound ID gNY72ZBlPV
InChI InChI=1S/C18H18F3N3O4S.C2H2O4/c19-18(20,21)17-4-2-1-3-14(17)13-22-9-11-23(12-10-22)29(27,28)16-7-5-15(6-8-16)24(25)26;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)
InChIKey TTWRFUZLHFDZHL-UHFFFAOYSA-N
Mol Weight 519.45 g/mol
Molecular Formula C20H20F3N3O8S
Exact Mass 519.09232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E6flHrTIwEe
Name 1-((4-nitrophenyl)sulfonyl)-4-(2-(trifluoromethyl)benzyl)piperazine oxalate
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/C18H18F3N3O4S.C2H2O4/c19-18(20,21)17-4-2-1-3-14(17)13-22-9-11-23(12-10-22)29(27,28)16-7-5-15(6-8-16)24(25)26;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)
InChIKey TTWRFUZLHFDZHL-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2816
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/11269595