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3-(4-chlorophenyl)-1-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
SpectraBase Compound ID 115zJnz6406
InChI InChI=1S/C23H21ClN3O2.BrH/c24-17-10-8-16(9-11-17)20-15-25(21-7-3-13-26(20)21)12-4-14-27-22(28)18-5-1-2-6-19(18)23(27)29;/h1-2,5-6,8-11,15H,3-4,7,12-14H2;1H/q+1;/p-1
InChIKey DHZBPNWRZLVOCN-UHFFFAOYSA-M
Mol Weight 486.8 g/mol
Molecular Formula C23H21BrClN3O2
Exact Mass 485.050568 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6QQfVC3fgkE
Name 3-(4-chlorophenyl)-1-[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
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/C23H21ClN3O2.BrH/c24-17-10-8-16(9-11-17)20-15-25(21-7-3-13-26(20)21)12-4-14-27-22(28)18-5-1-2-6-19(18)23(27)29;/h1-2,5-6,8-11,15H,3-4,7,12-14H2;1H/q+1;/p-1
InChIKey DHZBPNWRZLVOCN-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28477
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: D87886; Labnumber: SC_0087-1026; SBI_ID: SBI-028481
Temperature 318 °C