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1H-Imidazole, 1,2-dimethyl-4-[(4-methylphenyl)sulfonyl]-5-nitro-
SpectraBase Compound ID 44vSDbrXFE8
InChI InChI=1S/C12H13N3O4S/c1-8-4-6-10(7-5-8)20(18,19)11-12(15(16)17)14(3)9(2)13-11/h4-7H,1-3H3
InChIKey DDAWBFPMMLCWRU-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 Hk38pvzMcae
Name 1H-Imidazole, 1,2-dimethyl-4-[(4-methylphenyl)sulfonyl]-5-nitro-
CAS Registry Number 113121-78-1
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)11-12(15(16)17)14(3)9(2)13-11/h4-7H,1-3H3
InChIKey DDAWBFPMMLCWRU-UHFFFAOYSA-N
Molecular Weight 295.313 g/mol
SMILES c1(c([n](C)c(n1)C)N(=O)=O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0002-0090000000-7bc49f8c4879cc8771bd
Source of Spectrum B-40-1425-0
Synonyms 1,2-Dimethyl-4-(4'-methylphenyl(sulfonyl-5-nitroimidazole 1,2-Dimethyl-4-[(4-methylphenyl)sulfonyl]-5-nitro-1H-imidazole 1,2-Dimethyl-5-nitro-1H-imidazol-4-yl 4-methylphenyl sulfone
Wiley ID 1297969