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3-(2-{(E)-[1-(3-chlorophenyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
SpectraBase Compound ID ApzRCiJYmW3
InChI InChI=1S/C21H14ClN3O4/c22-14-5-2-7-17(11-14)25-19(26)18(23-21(25)29)12-16-8-3-9-24(16)15-6-1-4-13(10-15)20(27)28/h1-12H,(H,23,29)(H,27,28)/b18-12+
InChIKey SKNKQCUDNWAXHL-LDADJPATSA-N
Mol Weight 407.81 g/mol
Molecular Formula C21H14ClN3O4
Exact Mass 407.067284 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KkYH3Ew4Uqz
Name 3-(2-{(E)-[1-(3-chlorophenyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-pyrrol-1-yl)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/C21H14ClN3O4/c22-14-5-2-7-17(11-14)25-19(26)18(23-21(25)29)12-16-8-3-9-24(16)15-6-1-4-13(10-15)20(27)28/h1-12H,(H,23,29)(H,27,28)/b18-12+
InChIKey SKNKQCUDNWAXHL-LDADJPATSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_8340
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: D36141; Labnumber: SPDEM5-37766; SBI_ID: SBI-008343
Synonyms 3-(2-{[1-(3-chlorophenyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-pyrrol-1-yl)benzoic acid
Temperature 318 °C