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(2E)-3-{1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(4-fluorophenyl)-2-propenamide
SpectraBase Compound ID 7tQk6JDNhG6
InChI InChI=1S/C26H24BrFN4O2/c1-17-13-19(14-20(16-29)26(33)30-22-5-3-21(28)4-6-22)18(2)32(17)23-7-8-25(24(27)15-23)31-9-11-34-12-10-31/h3-8,13-15H,9-12H2,1-2H3,(H,30,33)/b20-14+
InChIKey APCQPYVNFUPFJB-XSFVSMFZSA-N
Mol Weight 523.41 g/mol
Molecular Formula C26H24BrFN4O2
Exact Mass 522.106667 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5kkKoQiN4R8
Name (2E)-3-{1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(4-fluorophenyl)-2-propenamide
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/C26H24BrFN4O2/c1-17-13-19(14-20(16-29)26(33)30-22-5-3-21(28)4-6-22)18(2)32(17)23-7-8-25(24(27)15-23)31-9-11-34-12-10-31/h3-8,13-15H,9-12H2,1-2H3,(H,30,33)/b20-14+
InChIKey APCQPYVNFUPFJB-XSFVSMFZSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_15732
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: C75116; Labnumber: SPDEM-2238; SBI_ID: SBI-015735
Synonyms 3-{1-[3-bromo-4-(4-morpholinyl)phenyl]-2,5-dimethyl-1H-pyrrol-3-yl}-2-cyano-N-(4-fluorophenyl)-2-propenamide
Temperature 318 °C