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4-{[2-(1,3-benzodioxol-5-yl)ethyl]ammonio}-1-benzylpiperidinium
SpectraBase Compound ID F0ehvi9ytSp
InChI InChI=1S/C21H26N2O2/c1-2-4-18(5-3-1)15-23-12-9-19(10-13-23)22-11-8-17-6-7-20-21(14-17)25-16-24-20/h1-7,14,19,22H,8-13,15-16H2/p+2
InChIKey NBSOXKYQXQKNEP-UHFFFAOYSA-P
Mol Weight 340.47 g/mol
Molecular Formula C21H28N2O2
Exact Mass 340.215078 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6HggOStxf8y
Name 4-{[2-(1,3-benzodioxol-5-yl)ethyl]ammonio}-1-benzylpiperidinium
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/C21H26N2O2/c1-2-4-18(5-3-1)15-23-12-9-19(10-13-23)22-11-8-17-6-7-20-21(14-17)25-16-24-20/h1-7,14,19,22H,8-13,15-16H2/p+2
InChIKey NBSOXKYQXQKNEP-UHFFFAOYSA-P
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13809
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/9312333; UBI_ID: UBI-013812
Temperature 308 °C