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5-(4'-METHYLPHENYL)-SULFONYL-4-NITROIMIDAZOLE
SpectraBase Compound ID 2fRuHn6wqEm
InChI InChI=1S/C10H9N3O4S/c1-7-2-4-8(5-3-7)18(16,17)10-9(13(14)15)11-6-12-10/h2-6H,1H3,(H,11,12)
InChIKey BKHJJAJOCIYLQU-UHFFFAOYSA-N
Mol Weight 267.26 g/mol
Molecular Formula C10H9N3O4S
Exact Mass 267.031377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BVyr8hEZg0P
Name 1H-Imidazole, 4-[(4-methylphenyl)sulfonyl]-5-nitro-
Alternate Name(s) 4-Methylphenyl 5-nitro-1H-imidazol-4-yl sulfone 4-[(4-methylphenyl)sulfonyl]-5-nitro-1H-imidazole 5-(4'-Methylphenyl)sulfonyl-4-nitroimidazole
CAS Registry Number 113121-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9N3O4S
InChI InChI=1S/C10H9N3O4S/c1-7-2-4-8(5-3-7)18(16,17)10-9(13(14)15)11-6-12-10/h2-6H,1H3,(H,11,12)
InChIKey BKHJJAJOCIYLQU-UHFFFAOYSA-N
Molecular Weight 267.259 g/mol
SMILES [nH]1cnc(c1N(=O)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-01b9-0290000000-bd2a9b7553ceaae90184
Source of Spectrum B-40-1424-0
Wiley ID 1270872