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3H-Pyrrole-4-carboxylic acid, 3-[(2-bromophenyl)methylidene]-1,2-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-, methyl ester
SpectraBase Compound ID 9Tjp0LK12m4
InChI InChI=1S/C21H18BrNO3/c1-14-19(21(25)26-2)17(12-16-10-6-7-11-18(16)22)20(24)23(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3/b17-12-
InChIKey XETHLGGDMFRXEJ-ATVHPVEESA-N
Mol Weight 412.28 g/mol
Molecular Formula C21H18BrNO3
Exact Mass 411.047006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IkgtWnFmZpt
Name 3H-Pyrrole-4-carboxylic acid, 3-[(2-bromophenyl)methylidene]-1,2-dihydro-5-methyl-2-oxo-1-(phenylmethyl)-, methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrNO3
InChI InChI=1S/C21H18BrNO3/c1-14-19(21(25)26-2)17(12-16-10-6-7-11-18(16)22)20(24)23(14)13-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3/b17-12-
InChIKey XETHLGGDMFRXEJ-ATVHPVEESA-N
Molecular Weight 412.283 g/mol
SMILES C=1(\C(C(=O)N(C1C)Cc1ccccc1)=C\c1c(Br)cccc1)C(=O)OC
SPLASH splash10-000x-9215000000-c1c3db3483d37450d6f9
Source of Spectrum IY-1-4695-2
Synonyms (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxo-1-(phenylmethyl)-3-pyrrolecarboxylic acid methyl ester Methyl (4Z)-1-benzyl-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate Methyl (4Z)-1-benzyl-4-[(2-bromophenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate Methyl (4Z)-4-[(2-bromophenyl)methylidene]-2-methyl-5-oxidanylidene-1-(phenylmethyl)pyrrole-3-carboxylate
Wiley ID 1654935