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1-benzyl-4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]piperazin-1-ium chloride
SpectraBase Compound ID IbbHD5bsR2q
InChI InChI=1S/C28H27N3O3.ClH/c32-26-23-13-7-8-14-24(23)27(33)31(26)25(19-21-9-3-1-4-10-21)28(34)30-17-15-29(16-18-30)20-22-11-5-2-6-12-22;/h1-14,25H,15-20H2;1H
InChIKey ZSXOINPIGDOOKF-UHFFFAOYSA-N
Mol Weight 490.0 g/mol
Molecular Formula C28H28ClN3O3
Exact Mass 489.181919 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5ycJbQ4YqBt
Name 1-benzyl-4-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-phenylpropanoyl]piperazin-1-ium 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/C28H27N3O3.ClH/c32-26-23-13-7-8-14-24(23)27(33)31(26)25(19-21-9-3-1-4-10-21)28(34)30-17-15-29(16-18-30)20-22-11-5-2-6-12-22;/h1-14,25H,15-20H2;1H
InChIKey ZSXOINPIGDOOKF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6709
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: 124388; Labnumber: MNL-801; VK_ID: VK-006712
Temperature 318 °C