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methyl (3-{(E)-[1-(4-chlorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-indol-1-yl)acetate
SpectraBase Compound ID CaBJAoSKtkS
InChI InChI=1S/C22H18ClN3O4/c1-30-20(27)13-25-12-15(17-4-2-3-5-19(17)25)10-18-21(28)26(22(29)24-18)11-14-6-8-16(23)9-7-14/h2-10,12H,11,13H2,1H3,(H,24,29)/b18-10+
InChIKey COCJPTVVIBFCSQ-VCHYOVAHSA-N
Mol Weight 423.86 g/mol
Molecular Formula C22H18ClN3O4
Exact Mass 423.098584 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D6bxoGZSJfu
Name methyl (3-{(E)-[1-(4-chlorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-indol-1-yl)acetate
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/C22H18ClN3O4/c1-30-20(27)13-25-12-15(17-4-2-3-5-19(17)25)10-18-21(28)26(22(29)24-18)11-14-6-8-16(23)9-7-14/h2-10,12H,11,13H2,1H3,(H,24,29)/b18-10+
InChIKey COCJPTVVIBFCSQ-VCHYOVAHSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_13865
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: UZI/1010630; UBI_ID: UBI-013868
Synonyms methyl (3-{[1-(4-chlorobenzyl)-2,5-dioxo-4-imidazolidinylidene]methyl}-1H-indol-1-yl)acetate
Temperature 308 °C