For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

methyl 4-[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

View entire compound with spectra: 1 NMR

methyl 4-[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 7wH6XqmvOV4
InChI InChI=1S/C27H25N3O5S/c1-16-5-9-21(10-6-16)28-24(31)15-29-25(32)23(36-27(29)34)14-20-13-17(2)30(18(20)3)22-11-7-19(8-12-22)26(33)35-4/h5-14H,15H2,1-4H3,(H,28,31)/b23-14+
InChIKey KGIVXVZADQDNHN-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

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5YxhB2DpEfw
Name methyl 4-[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/c1-16-5-9-21(10-6-16)28-24(31)15-29-25(32)23(36-27(29)34)14-20-13-17(2)30(18(20)3)22-11-7-19(8-12-22)26(33)35-4/h5-14H,15H2,1-4H3,(H,28,31)/b23-14+
InChIKey KGIVXVZADQDNHN-OEAKJJBVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11456
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: 1003343; UBI_ID: UBI-011459
Synonyms methyl 4-[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