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1-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium chloride
SpectraBase Compound ID KFXKD5cXsHu
InChI InChI=1S/C21H20FN3O2.ClH/c1-27-18-10-4-15(5-11-18)19-13-24(21-3-2-12-25(19)21)14-20(26)23-17-8-6-16(22)7-9-17;/h4-11,13H,2-3,12,14H2,1H3;1H
InChIKey IUJUGFBKMCVMOQ-UHFFFAOYSA-N
Mol Weight 401.87 g/mol
Molecular Formula C21H21ClFN3O2
Exact Mass 401.130633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B3N1Cat94tA
Name 1-[2-(4-fluoroanilino)-2-oxoethyl]-3-(4-methoxyphenyl)-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/C21H20FN3O2.ClH/c1-27-18-10-4-15(5-11-18)19-13-24(21-3-2-12-25(19)21)14-20(26)23-17-8-6-16(22)7-9-17;/h4-11,13H,2-3,12,14H2,1H3;1H
InChIKey IUJUGFBKMCVMOQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27783
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: D78957; Labnumber: SC_0087-1437; SBI_ID: SBI-027787
Temperature 318 °C