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1-METHYL-4-NITROIMIDAZOLE-5-CARBONITRILE
SpectraBase Compound ID 1V2OclgN8o0
InChI InChI=1S/C5H4N4O2/c1-8-3-7-5(9(10)11)4(8)2-6/h3H,1H3
InChIKey LXXDMPXVEZYDCI-UHFFFAOYSA-N
Mol Weight 152.11 g/mol
Molecular Formula C5H4N4O2
Exact Mass 152.033425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID xu92hSWZs
Name Imidazole-5-carbonitrile, 1-methyl-4-nitro-
CAS Registry Number 40648-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H4N4O2
InChI InChI=1S/C5H4N4O2/c1-8-3-7-5(9(10)11)4(8)2-6/h3H,1H3
InChIKey LXXDMPXVEZYDCI-UHFFFAOYSA-N
Molecular Weight 152.113 g/mol
SMILES C(#N)c1c(nc[n]1C)N(=O)=O
SPLASH splash10-14p0-0900000000-d2940e4435b7606a7fe3
Source of Spectrum B-40-1411-10
Synonyms 1-Methyl-4-nitro-1H-imidazole-5-carbonitrile 1-Methyl-4-nitroimidazole-5-carbonitrile 3-Methyl-5-nitro-4-imidazolecarbonitrile 3-Methyl-5-nitro-imidazole-4-carbonitrile
Wiley ID 1148481