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1H-Imidazole, 4-methyl-2-nitro-

View entire compound with spectra: 2 MS (GC)

1H-Imidazole, 4-methyl-2-nitro-
SpectraBase Compound ID LM136385XbE
InChI InChI=1S/C4H5N3O2/c1-3-2-5-4(6-3)7(8)9/h2H,1H3,(H,5,6)
InChIKey LIONKSIUQQYOMX-UHFFFAOYSA-N
Mol Weight 127.1 g/mol
Molecular Formula C4H5N3O2
Exact Mass 127.038176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8ttOKjXcPDw
Name 1H-Imidazole, 4-methyl-2-nitro-
CAS Registry Number 5213-35-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N3O2
InChI InChI=1S/C4H5N3O2/c1-3-2-5-4(6-3)7(8)9/h2H,1H3,(H,5,6)
InChIKey LIONKSIUQQYOMX-UHFFFAOYSA-N
Molecular Weight 127.103 g/mol
SMILES [nH]1c(ncc1C)N(=O)=O
SPLASH splash10-004i-9600000000-cb85552a2c306f2e0552
Source of Spectrum 0-16-204-2
Synonyms 4-Methyl-2-nitro-1H-imidazole 4-Methyl-2-nitroimidazole 5-Methyl-2-nitro-1H-imidazole 5-Methyl-2-nitroimidazole Imidazole, 4(or 5)-methyl-2-nitro- Imidazole, 4-methyl-2-nitro- Imidazole, 4-methyl-2-nitro-, mixed with 5-methyl-2-nitroimidazole (1:1) Imidazole, 5-methyl-2-nitro-, mixed with 4-methyl-2-nitroimidazole (1:1)
Wiley ID 1130511