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1-(phenoxyacetyl)-4-(3-pyridinylmethyl)piperazinediium oxalate

View entire compound with spectra: 1 NMR

1-(phenoxyacetyl)-4-(3-pyridinylmethyl)piperazinediium oxalate
SpectraBase Compound ID 3OHF6H70ssy
InChI InChI=1S/C18H21N3O2.C2H2O4/c22-18(15-23-17-6-2-1-3-7-17)21-11-9-20(10-12-21)14-16-5-4-8-19-13-16;3-1(4)2(5)6/h1-8,13H,9-12,14-15H2;(H,3,4)(H,5,6)
InChIKey DYJXEABAWPKKCL-UHFFFAOYSA-N
Mol Weight 401.42 g/mol
Molecular Formula C20H23N3O6
Exact Mass 401.158685 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GniZCBbdOUC
Name 1-(phenoxyacetyl)-4-(3-pyridinylmethyl)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/C18H21N3O2.C2H2O4/c22-18(15-23-17-6-2-1-3-7-17)21-11-9-20(10-12-21)14-16-5-4-8-19-13-16;3-1(4)2(5)6/h1-8,13H,9-12,14-15H2;(H,3,4)(H,5,6)
InChIKey DYJXEABAWPKKCL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12911
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/9012810; UBI_ID: UBI-012914
Temperature 308 °C