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1-METHYL-4-(4'-METHYLPHENYL)-SULFONYL-5-NITROIMIDAZOLE
SpectraBase Compound ID FFESoGA9eGm
InChI InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(17,18)10-11(14(15)16)13(2)7-12-10/h3-7H,1-2H3
InChIKey HDXIWDGBSLFXAM-UHFFFAOYSA-N
Mol Weight 281.29 g/mol
Molecular Formula C11H11N3O4S
Exact Mass 281.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtTlA1Ipxeh
Name 1H-Imidazole, 1-methyl-4-[(4-methylphenyl)sulfonyl]-5-nitro-
Alternate Name(s) 1-Methyl-4-(4'-methylphenyl)sulfonyl-5-nitroimidazole 1-Methyl-4-[(4-methylphenyl)sulfonyl]-5-nitro-1H-imidazole 1-Methyl-5-nitro-1H-imidazol-4-yl 4-methylphenyl sulfone
CAS Registry Number 113121-73-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4S
InChI InChI=1S/C11H11N3O4S/c1-8-3-5-9(6-4-8)19(17,18)10-11(14(15)16)13(2)7-12-10/h3-7H,1-2H3
InChIKey HDXIWDGBSLFXAM-UHFFFAOYSA-N
Molecular Weight 281.286 g/mol
SMILES c1(c(N(=O)=O)[n](C)cn1)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-001i-0190000000-8d41b7eae4d5bd269cb0
Source of Spectrum B-40-1424-0
Wiley ID 1284614