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1H-pyrrole-3-carboxylic acid, 1-(3-bromophenyl)-4,5-dihydro-4-[[4-(methoxycarbonyl)phenyl]methylene]-2-methyl-5-oxo-, methyl ester, (4E)-

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1H-pyrrole-3-carboxylic acid, 1-(3-bromophenyl)-4,5-dihydro-4-[[4-(methoxycarbonyl)phenyl]methylene]-2-methyl-5-oxo-, methyl ester, (4E)-
SpectraBase Compound ID JFpiP0zYdF0
InChI InChI=1S/C22H18BrNO5/c1-13-19(22(27)29-3)18(11-14-7-9-15(10-8-14)21(26)28-2)20(25)24(13)17-6-4-5-16(23)12-17/h4-12H,1-3H3/b18-11+
InChIKey PQALTSVOMXKWNR-WOJGMQOQSA-N
Mol Weight 456.29 g/mol
Molecular Formula C22H18BrNO5
Exact Mass 455.036836 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DyaGqQ2P15m
Name 1H-pyrrole-3-carboxylic acid, 1-(3-bromophenyl)-4,5-dihydro-4-[[4-(methoxycarbonyl)phenyl]methylene]-2-methyl-5-oxo-, methyl ester, (4E)-
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/C22H18BrNO5/c1-13-19(22(27)29-3)18(11-14-7-9-15(10-8-14)21(26)28-2)20(25)24(13)17-6-4-5-16(23)12-17/h4-12H,1-3H3/b18-11+
InChIKey PQALTSVOMXKWNR-WOJGMQOQSA-N
NMR Offset 16.1752
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_CB_8313_2218
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: NMR/9245978; Labnumber: LD-0810288
Temperature 313 °C