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benzoic acid, 4-[[(2E,5Z)-5-[[1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-3-methyl-4-oxothiazolidinylidene]amino]-, methyl ester

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benzoic acid, 4-[[(2E,5Z)-5-[[1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-3-methyl-4-oxothiazolidinylidene]amino]-, methyl ester
SpectraBase Compound ID E812D6DHjuS
InChI InChI=1S/C27H28N4O3S/c1-17-15-20(18(2)31(17)23-13-11-22(12-14-23)29(3)4)16-24-25(32)30(5)27(35-24)28-21-9-7-19(8-10-21)26(33)34-6/h7-16H,1-6H3/b24-16-,28-27+
InChIKey CSOQHJDFKDKUQQ-USPLRNBBSA-N
Mol Weight 488.61 g/mol
Molecular Formula C27H28N4O3S
Exact Mass 488.188212 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1fWuCOpozDc
Name benzoic acid, 4-[[(2E,5Z)-5-[[1-[4-(dimethylamino)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl]methylene]-3-methyl-4-oxothiazolidinylidene]amino]-, methyl ester
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/C27H28N4O3S/c1-17-15-20(18(2)31(17)23-13-11-22(12-14-23)29(3)4)16-24-25(32)30(5)27(35-24)28-21-9-7-19(8-10-21)26(33)34-6/h7-16H,1-6H3/b24-16-,28-27+
InChIKey CSOQHJDFKDKUQQ-USPLRNBBSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_1892
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: NMR/11238046