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2-chloro-4-(5-{(E)-[1-(4-fluorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-2-furyl)benzoic acid
SpectraBase Compound ID 1Ki3Z1oQ7Ei
InChI InChI=1S/C22H14ClFN2O5/c23-17-9-13(3-7-16(17)21(28)29)19-8-6-15(31-19)10-18-20(27)26(22(30)25-18)11-12-1-4-14(24)5-2-12/h1-10H,11H2,(H,25,30)(H,28,29)/b18-10+
InChIKey AUEAQWAEBFGRIQ-VCHYOVAHSA-N
Mol Weight 440.81 g/mol
Molecular Formula C22H14ClFN2O5
Exact Mass 440.057527 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 161apcLcp2u
Name 2-chloro-4-(5-{(E)-[1-(4-fluorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-2-furyl)benzoic acid
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/C22H14ClFN2O5/c23-17-9-13(3-7-16(17)21(28)29)19-8-6-15(31-19)10-18-20(27)26(22(30)25-18)11-12-1-4-14(24)5-2-12/h1-10H,11H2,(H,25,30)(H,28,29)/b18-10+
InChIKey AUEAQWAEBFGRIQ-VCHYOVAHSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_12017
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: D58832; Labnumber: SPDEM4-19211; SBI_ID: SBI-012020
Synonyms 2-chloro-4-(5-{[1-(4-fluorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-2-furyl)benzoic acid
Temperature 306 °C