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1-[(4-(4-Bromophenyl)-3-ethoxycarbonyl-2-methyl)pyrrol-5-yl]benzimidazol-2(3H)-one
SpectraBase Compound ID BUbCoG0Vl3G
InChI InChI=1S/C21H18BrN3O3/c1-3-28-20(26)17-12(2)23-19(18(17)13-8-10-14(22)11-9-13)25-16-7-5-4-6-15(16)24-21(25)27/h4-11,23H,3H2,1-2H3,(H,24,27)
InChIKey AHZDIRYKKMRYEX-UHFFFAOYSA-N
Mol Weight 440.3 g/mol
Molecular Formula C21H18BrN3O3
Exact Mass 439.053154 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EyMglsrjAyF
Name 1-[(4-(4-Bromophenyl)-3-ethoxycarbonyl-2-methyl)pyrrol-5-yl]benzimidazol-2(3H)-one
Alternate Name(s) Ethyl 4-(4-bromophenyl)-2-methyl-5-(2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-1H-pyrrole-3-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18BrN3O3
InChI InChI=1S/C21H18BrN3O3/c1-3-28-20(26)17-12(2)23-19(18(17)13-8-10-14(22)11-9-13)25-16-7-5-4-6-15(16)24-21(25)27/h4-11,23H,3H2,1-2H3,(H,24,27)
InChIKey AHZDIRYKKMRYEX-UHFFFAOYSA-N
Literature Reference DOI 10.1021/jo501526a
Molecular Weight 440.297 g/mol
SMILES N1C(N(c2c(c(c([nH]2)C)C(OCC)=O)-c2ccc(cc2)Br)c2ccccc12)=O
SPLASH splash10-000f-0002900000-57b0840cbb7e1b0869df
Source of Spectrum J-79-9167-12l
Wiley ID 1748159