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4-NITRO-5-PHENYLSULFONYLIMIDAZOLE
SpectraBase Compound ID rHUzgmZePT
InChI InChI=1S/C9H7N3O4S/c13-12(14)8-9(11-6-10-8)17(15,16)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey WBMLQMWHVKQGQK-UHFFFAOYSA-N
Mol Weight 253.23 g/mol
Molecular Formula C9H7N3O4S
Exact Mass 253.015727 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KwwZV28jv9E
Name 1H-Imidazole, 4-nitro-5-(phenylsulfonyl)-
Alternate Name(s) 4-Nitro-5-(phenylsulfonyl)-1H-imidazole 5-(benzenesulfonyl)-4-nitro-1H-imidazole
CAS Registry Number 110299-88-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7N3O4S
InChI InChI=1S/C9H7N3O4S/c13-12(14)8-9(11-6-10-8)17(15,16)7-4-2-1-3-5-7/h1-6H,(H,10,11)
InChIKey WBMLQMWHVKQGQK-UHFFFAOYSA-N
Molecular Weight 253.232 g/mol
SMILES [nH]1cnc(c1S(=O)(=O)c1ccccc1)N(=O)=O
SPLASH splash10-0uki-0590000000-3bdbfb07798d1543f153
Source of Spectrum B-40-1423-0
Wiley ID 1256515