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5,6-dimethyl-1-(4-nitrophenyl)sulfonyl-benzimidazole
SpectraBase Compound ID Dw51oiZoN1p
InChI InChI=1S/C15H13N3O4S/c1-10-7-14-15(8-11(10)2)17(9-16-14)23(21,22)13-5-3-12(4-6-13)18(19)20/h3-9H,1-2H3
InChIKey KHWDMGWQKWODBN-UHFFFAOYSA-N
Mol Weight 331.35 g/mol
Molecular Formula C15H13N3O4S
Exact Mass 331.062677 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DP2ymq91fLj
Name 5,6-dimethyl-1-(4-nitrophenyl)sulfonyl-benzimidazole
Appearance White solid
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Formula C15H13N3O4S
InChI InChI=1S/C15H13N3O4S/c1-10-7-14-15(8-11(10)2)17(9-16-14)23(21,22)13-5-3-12(4-6-13)18(19)20/h3-9H,1-2H3
InChIKey KHWDMGWQKWODBN-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 331.346 g/mol
Reported Formula C15H13N3O4S
SMILES c1(c(cc2[n](S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cnc2c1)C)C
SPLASH splash10-00ls-1906000000-fc82506954308561607c
Source of Spectrum CN106008360A
Wiley ID 1850970