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2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromobenzoate
SpectraBase Compound ID IKaCA28051p
InChI InChI=1S/C13H12BrN3O4/c1-9-15-8-12(17(19)20)16(9)6-7-21-13(18)10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3
InChIKey HAMBCKOTTQSMEZ-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 GSr5O9u3o9i
Name 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 2-bromobenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H12BrN3O4
InChI InChI=1S/C13H12BrN3O4/c1-9-15-8-12(17(19)20)16(9)6-7-21-13(18)10-4-2-3-5-11(10)14/h2-5,8H,6-7H2,1H3
InChIKey HAMBCKOTTQSMEZ-UHFFFAOYSA-N
Molecular Weight 354.160 g/mol
SMILES c1(c(cccc1)Br)C(OCC[n]1c([N+](=O)[O-])cnc1C)=O
SPLASH splash10-0ugr-9720000000-a6c26d178a669ca9096a
Source of Spectrum Uzma Salar, et al. European Journal of Medicinal Chemistry, V.125, 2017, P.1289-1299
Wiley ID 1816768