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1-methyl-5-nitroimidazole

View entire compound with spectra: 7 NMR, 1 FTIR, and 4 MS (GC)

1-methyl-5-nitroimidazole
SpectraBase Compound ID DbUtTvZOLHX
InChI InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3
InChIKey JLZXSFPSJJMRIX-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 7Ff4fKql0Zi
Name 1H-Imidazole, 1-methyl-5-nitro-
CAS Registry Number 3034-42-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N3O2
InChI InChI=1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3
InChIKey JLZXSFPSJJMRIX-UHFFFAOYSA-N
Molecular Weight 127.103 g/mol
SMILES c1c([n](cn1)C)N(=O)=O
SPLASH splash10-004i-4900000000-484c14df9a738d6213f4
Source of Spectrum W5-0-0-0
Synonyms 1-Methyl-5-nitro-1H-imidazole 1-Methyl-5-nitro-imidazole Imidazole, 1-methyl-5-nitro- BRN 0123550 EINECS 221-225-2
Wiley ID 1130522