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1-benzyl-4-[7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanoyl]piperazin-1-ium chloride
SpectraBase Compound ID 97yndViDn7P
InChI InChI=1S/C26H31N3O3.ClH/c30-24(28-18-16-27(17-19-28)20-21-10-4-3-5-11-21)14-6-1-2-9-15-29-25(31)22-12-7-8-13-23(22)26(29)32;/h3-5,7-8,10-13H,1-2,6,9,14-20H2;1H
InChIKey HEZHBDHQUZBUPP-UHFFFAOYSA-N
Mol Weight 470.0 g/mol
Molecular Formula C26H32ClN3O3
Exact Mass 469.21322 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2Ujar6C4x6B
Name 1-benzyl-4-[7-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)heptanoyl]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/C26H31N3O3.ClH/c30-24(28-18-16-27(17-19-28)20-21-10-4-3-5-11-21)14-6-1-2-9-15-29-25(31)22-12-7-8-13-23(22)26(29)32;/h3-5,7-8,10-13H,1-2,6,9,14-20H2;1H
InChIKey HEZHBDHQUZBUPP-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9980
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: 132987; Labnumber: MNL-864; VK_ID: VK-009984
Temperature 318 °C