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3-(4-chlorophenyl)-1-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
SpectraBase Compound ID DrlDYwKYpDI
InChI InChI=1S/C22H20ClN3O3.ClH/c1-29-22(28)16-6-10-18(11-7-16)24-20(27)14-25-13-19(26-12-2-3-21(25)26)15-4-8-17(23)9-5-15;/h4-11,13H,2-3,12,14H2,1H3;1H
InChIKey FZDDCDIOLYHAQI-UHFFFAOYSA-N
Mol Weight 446.33 g/mol
Molecular Formula C22H21Cl2N3O3
Exact Mass 445.095997 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3zUA6BuHEZo
Name 3-(4-chlorophenyl)-1-{2-[4-(methoxycarbonyl)anilino]-2-oxoethyl}-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-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/C22H20ClN3O3.ClH/c1-29-22(28)16-6-10-18(11-7-16)24-20(27)14-25-13-19(26-12-2-3-21(25)26)15-4-8-17(23)9-5-15;/h4-11,13H,2-3,12,14H2,1H3;1H
InChIKey FZDDCDIOLYHAQI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27779
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: D78942; Labnumber: SC_0087-1092; SBI_ID: SBI-027783
Temperature 318 °C