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3-Benzoyl-2-bromo-4-phenyl-1-pyrrolecarboxylic acid tert-butyl ester
SpectraBase Compound ID G0jmYyxBG4I
InChI InChI=1S/C22H20BrNO3/c1-22(2,3)27-21(26)24-14-17(15-10-6-4-7-11-15)18(20(24)23)19(25)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKey ALABMWBXZCJARU-UHFFFAOYSA-N
Mol Weight 426.31 g/mol
Molecular Formula C22H20BrNO3
Exact Mass 425.062657 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IMtKEn2RnGm
Name 3-Benzoyl-2-bromo-4-phenyl-1-pyrrolecarboxylic acid tert-butyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20BrNO3
InChI InChI=1S/C22H20BrNO3/c1-22(2,3)27-21(26)24-14-17(15-10-6-4-7-11-15)18(20(24)23)19(25)16-12-8-5-9-13-16/h4-14H,1-3H3
InChIKey ALABMWBXZCJARU-UHFFFAOYSA-N
Molecular Weight 426.310 g/mol
SMILES c1([n](cc(c1C(=O)c1ccccc1)-c1ccccc1)C(OC(C)(C)C)=O)Br
SPLASH splash10-056r-7439200000-b1972a284b36614fb996
Source of Spectrum J-63-5338-15
Synonyms 3-Benzoyl-2-bromo-4-phenyl-pyrrole-1-carboxylic acid tert-butyl ester tert-Butyl 2-bromanyl-4-phenyl-3-(phenylcarbonyl)pyrrole-1-carboxylate tert-Butyl 3-benzoyl-2-bromo-4-phenyl-pyrrole-1-carboxylate
Wiley ID 1379625