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1H-Imidazole-5-carboxylic acid, 1,2-dimethyl-4-nitro-, (2-bromophenyl)methyl ester
SpectraBase Compound ID LtLdsrnqWOL
InChI InChI=1S/C13H12BrN3O4/c1-8-15-12(17(19)20)11(16(8)2)13(18)21-7-9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3
InChIKey CKWLKJGHNMBAKZ-UHFFFAOYSA-N
Mol Weight 354.16 g/mol
Molecular Formula C13H12BrN3O4
Exact Mass 353.001119 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 93Z2I91TAbL
Name 1H-Imidazole-5-carboxylic acid, 1,2-dimethyl-4-nitro-, (2-bromophenyl)methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12BrN3O4
InChI InChI=1S/C13H12BrN3O4/c1-8-15-12(17(19)20)11(16(8)2)13(18)21-7-9-5-3-4-6-10(9)14/h3-6H,7H2,1-2H3
InChIKey CKWLKJGHNMBAKZ-UHFFFAOYSA-N
Molecular Weight 354.160 g/mol
SMILES c1([n](C)c(C(=O)OCc2c(cccc2)Br)c(N(=O)=O)n1)C
SPLASH splash10-01b9-6910000000-928aec06e61b664d8243
Source of Spectrum IY-1-4579-0
Synonyms 2-Bromobenzyl 1,2-dimethyl-4-nitro-1H-imidazole-5-carboxylate 2,3-Dimethyl-5-nitro-4-imidazolecarboxylic acid (2-bromophenyl)methyl ester (2-bromophenyl)methyl 2,3-dimethyl-5-nitroimidazole-4-carboxylate (2-bromophenyl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate
Wiley ID 1653773