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N-(1-Butyl-2-benzimidazolyl)-4-nitrobenzenesulfonamide

View entire compound with spectra: 1 NMR, and 2 MS (GC)

N-(1-Butyl-2-benzimidazolyl)-4-nitrobenzenesulfonamide
SpectraBase Compound ID 6ELm6yoWcPb
InChI InChI=1S/C17H18N4O4S/c1-2-3-12-20-16-7-5-4-6-15(16)18-17(20)19-26(24,25)14-10-8-13(9-11-14)21(22)23/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKey NXDCLPHCWFSPLJ-UHFFFAOYSA-N
Mol Weight 374.42 g/mol
Molecular Formula C17H18N4O4S
Exact Mass 374.104876 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2gUwwBJdhyM
Name N-(1-Butyl-2-benzimidazolyl)-4-nitrobenzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 374.104876246 u
Formula C17H18N4O4S
InChI InChI=1S/C17H18N4O4S/c1-2-3-12-20-16-7-5-4-6-15(16)18-17(20)19-26(24,25)14-10-8-13(9-11-14)21(22)23/h4-11H,2-3,12H2,1H3,(H,18,19)
InChIKey NXDCLPHCWFSPLJ-UHFFFAOYSA-N
Molecular Weight 374.415 g/mol
SMILES C1(NS(C=2C=CC(N(=O)=O)=CC2)(=O)=O)=NC=2C=CC=CC2N1CCCC