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1H-Imidazole, 1,2-dimethyl-5-nitro-4-(phenylsulfonyl)-
SpectraBase Compound ID JOiBLfbYE2V
InChI InChI=1S/C11H11N3O4S/c1-8-12-10(11(13(8)2)14(15)16)19(17,18)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey KTAGNTZYGHTTOQ-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 FRsuIlVLuGK
Name 1H-Imidazole, 1,2-dimethyl-5-nitro-4-(phenylsulfonyl)-
CAS Registry Number 113121-76-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H11N3O4S
InChI InChI=1S/C11H11N3O4S/c1-8-12-10(11(13(8)2)14(15)16)19(17,18)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKey KTAGNTZYGHTTOQ-UHFFFAOYSA-N
Molecular Weight 281.286 g/mol
SMILES c1(c([n](C)c(n1)C)N(=O)=O)S(=O)(=O)c1ccccc1
SPLASH splash10-001i-0090000000-57aa43fc03fbe710fec6
Source of Spectrum B-40-1424-0
Synonyms 1,2-Dimethyl-5-nitro-1H-imidazol-4-yl phenyl sulfone 1,2-Dimethyl-5-nitro-4-(phenylsulfonyl)-1H-imidazole 1,2-Dimethyl-5-nitro-4-phenylsulfonylimidazole
Wiley ID 1284617