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ethyl 2-({(2E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID CyHxl4xVHZW
InChI InChI=1S/C26H23BrN2O4S/c1-3-32-26(31)23-20-10-4-15(2)12-22(20)34-25(23)29-24(30)17(14-28)13-19-9-11-21(33-19)16-5-7-18(27)8-6-16/h5-9,11,13,15H,3-4,10,12H2,1-2H3,(H,29,30)/b17-13+
InChIKey MBORIWWEWWWVIQ-GHRIWEEISA-N
Mol Weight 539.44 g/mol
Molecular Formula C26H23BrN2O4S
Exact Mass 538.056191 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BhCEs3KYZbz
Name ethyl 2-({(2E)-3-[5-(4-bromophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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/C26H23BrN2O4S/c1-3-32-26(31)23-20-10-4-15(2)12-22(20)34-25(23)29-24(30)17(14-28)13-19-9-11-21(33-19)16-5-7-18(27)8-6-16/h5-9,11,13,15H,3-4,10,12H2,1-2H3,(H,29,30)/b17-13+
InChIKey MBORIWWEWWWVIQ-GHRIWEEISA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14688
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: C25979; Labnumber: MAT3-0011; SBI_ID: SBI-014691
Synonyms ethyl 2-({3-[5-(4-bromophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Temperature 318 °C