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1-(3-pyridinylmethyl)-4-[4-(trifluoromethyl)benzyl]piperazinediium oxalate

View entire compound with spectra: 1 NMR

1-(3-pyridinylmethyl)-4-[4-(trifluoromethyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID odPvASLm3I
InChI InChI=1S/C18H20F3N3.C2H2O4/c19-18(20,21)17-5-3-15(4-6-17)13-23-8-10-24(11-9-23)14-16-2-1-7-22-12-16;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey OBDAQKZLBVPKFP-UHFFFAOYSA-N
Mol Weight 425.41 g/mol
Molecular Formula C20H22F3N3O4
Exact Mass 425.156241 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E01k2TI5orN
Name 1-(3-pyridinylmethyl)-4-[4-(trifluoromethyl)benzyl]piperazinediium 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/C18H20F3N3.C2H2O4/c19-18(20,21)17-5-3-15(4-6-17)13-23-8-10-24(11-9-23)14-16-2-1-7-22-12-16;3-1(4)2(5)6/h1-7,12H,8-11,13-14H2;(H,3,4)(H,5,6)
InChIKey OBDAQKZLBVPKFP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13000
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: UZI/9030506; UBI_ID: UBI-013003
Temperature 318 °C