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2-bromo-N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
SpectraBase Compound ID 4cBkSMM3kFu
InChI InChI=1S/C20H17BrN2O4S2/c1-3-27-15-9-8-12(10-16(15)26-2)11-17-19(25)23(20(28)29-17)22-18(24)13-6-4-5-7-14(13)21/h4-11H,3H2,1-2H3,(H,22,24)/b17-11-
InChIKey XXYIZZQCEXQEAY-BOPFTXTBSA-N
Mol Weight 493.39 g/mol
Molecular Formula C20H17BrN2O4S2
Exact Mass 491.981312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4s2IQDZj4IF
Name 2-bromo-N-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
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/C20H17BrN2O4S2/c1-3-27-15-9-8-12(10-16(15)26-2)11-17-19(25)23(20(28)29-17)22-18(24)13-6-4-5-7-14(13)21/h4-11H,3H2,1-2H3,(H,22,24)/b17-11-
InChIKey XXYIZZQCEXQEAY-BOPFTXTBSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_2195
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: D01747; Labnumber: GORPS-073-5071; SBI_ID: SBI-002197
Synonyms 2-bromo-N-[5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]benzamide
Temperature 315 °C