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5-METHYLSULFONYL-4-NITROIMIDAZOLE
SpectraBase Compound ID IThKo8nE46z
InChI InChI=1S/C4H5N3O4S/c1-12(10,11)4-3(7(8)9)5-2-6-4/h2H,1H3,(H,5,6)
InChIKey AGOXDXWPTKSCRO-UHFFFAOYSA-N
Mol Weight 191.16 g/mol
Molecular Formula C4H5N3O4S
Exact Mass 191.000077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G0c4U2yBWcB
Name 1H-Imidazole, 4-(methylsulfonyl)-5-nitro-
Alternate Name(s) 5-Mesyl-4-nitro-1H-imidazole 5-Methylsulfonyl-4-nitro-1H-imidazole Imidazole, 5-(methylsulfonyl)-4-nitro-
CAS Registry Number 110299-87-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H5N3O4S
InChI InChI=1S/C4H5N3O4S/c1-12(10,11)4-3(7(8)9)5-2-6-4/h2H,1H3,(H,5,6)
InChIKey AGOXDXWPTKSCRO-UHFFFAOYSA-N
Molecular Weight 191.161 g/mol
SMILES [nH]1cnc(c1N(=O)=O)S(=O)(=O)C
SPLASH splash10-0006-0900000000-2292ee584a5ef1ee507a
Source of Spectrum B-40-1420-0
Wiley ID 1187245