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1H-Imidazole, 4-bromo-5-butyl-1-methyl-2-nitro-
SpectraBase Compound ID 6djrGd0DgED
InChI InChI=1S/C8H12BrN3O2/c1-3-4-5-6-7(9)10-8(11(6)2)12(13)14/h3-5H2,1-2H3
InChIKey QSEZZHRWZRVEPU-UHFFFAOYSA-N
Mol Weight 262.11 g/mol
Molecular Formula C8H12BrN3O2
Exact Mass 261.01129 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JaqqEnuuhmU
Name 1H-Imidazole, 4-bromo-5-butyl-1-methyl-2-nitro-
CAS Registry Number 121816-87-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12BrN3O2
InChI InChI=1S/C8H12BrN3O2/c1-3-4-5-6-7(9)10-8(11(6)2)12(13)14/h3-5H2,1-2H3
InChIKey QSEZZHRWZRVEPU-UHFFFAOYSA-N
Molecular Weight 262.107 g/mol
SMILES c1(nc(Br)c([n]1C)CCCC)N(=O)=O
SPLASH splash10-004i-5920000000-e0bb333c3e01a281f492
Source of Spectrum KC-1989-99-30
Synonyms 4-Bromo-5-butyl-1-methyl-2-nitro-1H-imidazole 4-Bromo-5-butyl-1-methyl-2-nitroimidazole 4-Buomo-5-butyl-1-methyl-2-nitroimidazole
Wiley ID 1264464