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methyl 3-[3-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate

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methyl 3-[3-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
SpectraBase Compound ID D2M38UdTPCa
InChI InChI=1S/C27H25N3O5S/c1-16-8-10-21(11-9-16)28-24(31)15-29-25(32)23(36-27(29)34)14-20-12-17(2)30(18(20)3)22-7-5-6-19(13-22)26(33)35-4/h5-14H,15H2,1-4H3,(H,28,31)/b23-14+
InChIKey AYHVSSZPZHBECD-OEAKJJBVSA-N
Mol Weight 503.57 g/mol
Molecular Formula C27H25N3O5S
Exact Mass 503.151492 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4eNbestP9sZ
Name methyl 3-[3-((E)-{2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
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/C27H25N3O5S/c1-16-8-10-21(11-9-16)28-24(31)15-29-25(32)23(36-27(29)34)14-20-12-17(2)30(18(20)3)22-7-5-6-19(13-22)26(33)35-4/h5-14H,15H2,1-4H3,(H,28,31)/b23-14+
InChIKey AYHVSSZPZHBECD-OEAKJJBVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11459
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: 1002890; UBI_ID: UBI-011462
Synonyms methyl 3-[3-({2,4-dioxo-3-[2-oxo-2-(4-toluidino)ethyl]-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
Temperature 308 °C