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5-methyl-1-(4-nitrophenyl)sulfonyl-benzimidazole
SpectraBase Compound ID EDpKAwgiyy3
InChI InChI=1S/C14H11N3O4S/c1-10-2-7-14-13(8-10)15-9-16(14)22(20,21)12-5-3-11(4-6-12)17(18)19/h2-9H,1H3
InChIKey KCGJCNPHKYCOLI-UHFFFAOYSA-N
Mol Weight 317.32 g/mol
Molecular Formula C14H11N3O4S
Exact Mass 317.047027 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GJs6geoxNXv
Name 5-methyl-1-(4-nitrophenyl)sulfonyl-benzimidazole
Appearance White solid
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Formula C14H11N3O4S
InChI InChI=1S/C14H11N3O4S/c1-10-2-7-14-13(8-10)15-9-16(14)22(20,21)12-5-3-11(4-6-12)17(18)19/h2-9H,1H3
InChIKey KCGJCNPHKYCOLI-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Molecular Weight 317.319 g/mol
Reported Formula C14H11N3O4S
SMILES c1(ccc2[n](S(=O)(=O)c3ccc(cc3)[N+]([O-])=O)cnc2c1)C
SPLASH splash10-0gc0-2905000000-50e4f18675302f311996
Source of Spectrum CN106008360A
Wiley ID 1850971