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3-pyridinemethanaminium, N-[[3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methyl]-, chloride
SpectraBase Compound ID 5ppSdDBsR7U
InChI InChI=1S/C17H15N3O3.ClH/c1-2-12(8-18-5-1)9-19-10-14-7-15(20-23-14)13-3-4-16-17(6-13)22-11-21-16;/h1-8,19H,9-11H2;1H
InChIKey AOIUKARSECOHCD-UHFFFAOYSA-N
Mol Weight 345.79 g/mol
Molecular Formula C17H16ClN3O3
Exact Mass 345.088019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJqPGqBT8FC
Name 3-pyridinemethanaminium, N-[[3-(1,3-benzodioxol-5-yl)-5-isoxazolyl]methyl]-, chloride
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/C17H15N3O3.ClH/c1-2-12(8-18-5-1)9-19-10-14-7-15(20-23-14)13-3-4-16-17(6-13)22-11-21-16;/h1-8,19H,9-11H2;1H
InChIKey AOIUKARSECOHCD-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_5102
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/17311277; Labnumber: 122