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1H-Imidazole, 1,2-dimethyl-5-[(4-methylphenyl)sulfonyl]-4-nitro-
SpectraBase Compound ID 6izu0DQQDyi
InChI InChI=1S/C12H13N3O4S/c1-8-4-6-10(7-5-8)20(18,19)12-11(15(16)17)13-9(2)14(12)3/h4-7H,1-3H3
InChIKey SWAOGFHVEOORIY-UHFFFAOYSA-N
Mol Weight 295.31 g/mol
Molecular Formula C12H13N3O4S
Exact Mass 295.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HYAPHyQTLhM
Name 1H-Imidazole, 1,2-dimethyl-5-[(4-methylphenyl)sulfonyl]-4-nitro-
CAS Registry Number 113121-79-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O4S
InChI InChI=1S/C12H13N3O4S/c1-8-4-6-10(7-5-8)20(18,19)12-11(15(16)17)13-9(2)14(12)3/h4-7H,1-3H3
InChIKey SWAOGFHVEOORIY-UHFFFAOYSA-N
Molecular Weight 295.313 g/mol
SMILES c1(c(nc([n]1C)C)N(=O)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0002-0090000000-c129655ce20bfd36de7d
Source of Spectrum B-40-1425-0
Synonyms 1,2-Dimethyl-4-nitro-1H-imidazol-5-yl 4-methylphenyl sulfone 1,2-Dimethyl-5-(4'-methylphenyl)sulfonyl-4-nitroimidazole 1,2-Dimethyl-5-[(4-methylphenyl)sulfonyl]-4-nitro-1H-imidazole
Wiley ID 1297970