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1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-(4-fluorophenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
SpectraBase Compound ID EKBaimW9Clm
InChI InChI=1S/C23H22FN3O3.ClH/c1-2-30-23(29)17-7-11-19(12-8-17)25-21(28)15-26-14-20(27-13-3-4-22(26)27)16-5-9-18(24)10-6-16;/h5-12,14H,2-4,13,15H2,1H3;1H
InChIKey WEEXNCPFNVLXHJ-UHFFFAOYSA-N
Mol Weight 443.91 g/mol
Molecular Formula C23H23ClFN3O3
Exact Mass 443.141197 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 56EZ6XVUL15
Name 1-{2-[4-(ethoxycarbonyl)anilino]-2-oxoethyl}-3-(4-fluorophenyl)-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/C23H22FN3O3.ClH/c1-2-30-23(29)17-7-11-19(12-8-17)25-21(28)15-26-14-20(27-13-3-4-22(26)27)16-5-9-18(24)10-6-16;/h5-12,14H,2-4,13,15H2,1H3;1H
InChIKey WEEXNCPFNVLXHJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28489
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: D87905; Labnumber: SC_0087-1391; SBI_ID: SBI-028493
Temperature 318 °C