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ethyl 4-[3-((Z)-{(2E)-2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
SpectraBase Compound ID 7uheLX8p8uF
InChI InChI=1S/C25H22BrN3O3S/c1-4-32-24(31)17-5-11-21(12-6-17)29-15(2)13-18(16(29)3)14-22-23(30)28-25(33-22)27-20-9-7-19(26)8-10-20/h5-14H,4H2,1-3H3,(H,27,28,30)/b22-14-
InChIKey WVTFZKDCOAUBNM-HMAPJEAMSA-N
Mol Weight 524.43 g/mol
Molecular Formula C25H22BrN3O3S
Exact Mass 523.056526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bp0jIIrECNr
Name ethyl 4-[3-((Z)-{(2E)-2-[(4-bromophenyl)imino]-4-oxo-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/C25H22BrN3O3S/c1-4-32-24(31)17-5-11-21(12-6-17)29-15(2)13-18(16(29)3)14-22-23(30)28-25(33-22)27-20-9-7-19(26)8-10-20/h5-14H,4H2,1-3H3,(H,27,28,30)/b22-14-
InChIKey WVTFZKDCOAUBNM-HMAPJEAMSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9605
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: 133605; Labnumber: AREF2K-2146; VK_ID: VK-009609
Synonyms ethyl 4-[3-({2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl)-2,5-dimethyl-1H-pyrrol-1-yl]benzoate
Temperature 318 °C