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3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-7-(phenylacetyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-ium bromide
SpectraBase Compound ID 5ad5DlvZEZQ
InChI InChI=1S/C22H18N3O3S.BrH/c26-19(12-15-6-2-1-3-7-15)24-11-10-23-16(14-29-22(23)24)13-25-20(27)17-8-4-5-9-18(17)21(25)28;/h1-9,14H,10-13H2;1H/q+1;/p-1
InChIKey RPZPNXPPZKXKHI-UHFFFAOYSA-M
Mol Weight 484.37 g/mol
Molecular Formula C22H18BrN3O3S
Exact Mass 483.025226 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JzhT42lIMv7
Name 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-7-(phenylacetyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazol-7-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/C22H18N3O3S.BrH/c26-19(12-15-6-2-1-3-7-15)24-11-10-23-16(14-29-22(23)24)13-25-20(27)17-8-4-5-9-18(17)21(25)28;/h1-9,14H,10-13H2;1H/q+1;/p-1
InChIKey RPZPNXPPZKXKHI-UHFFFAOYSA-M
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28140
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: D80493; Labnumber: RU04D013-081; SBI_ID: SBI-028144
Temperature 308 °C