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3-[4-(acetylsulfamoyl)butyl]-5-cyano-1-ethyl-2-methylbenzimidazolium bromide

View entire compound with spectra: 2 NMR, and 1 FTIR

3-[4-(acetylsulfamoyl)butyl]-5-cyano-1-ethyl-2-methylbenzimidazolium bromide
SpectraBase Compound ID AV4pnhYo9i8
InChI InChI=1S/C17H22N4O3S.BrH/c1-4-20-14(3)21(17-11-15(12-18)7-8-16(17)20)9-5-6-10-25(23,24)19-13(2)22;/h7-8,11H,4-6,9-10H2,1-3H3;1H
InChIKey QMWJFNZDRLVWQY-UHFFFAOYSA-N
Mol Weight 443.36 g/mol
Molecular Formula C17H23BrN4O3S
Exact Mass 442.067425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FzFterKo1kk
Name 3-[4-(ACETYLSULFAMOYL)BUTYL]-5-CYANO-1-ETHYL-2-METHYLBENZIMIDAZOLIUM BROMIDE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24BrN4O3S
InChI InChI=1S/C17H22N4O3S.BrH/c1-4-20-14(3)21(17-11-15(12-18)7-8-16(17)20)9-5-6-10-25(23,24)19-13(2)22;/h7-8,11H,4-6,9-10H2,1-3H3;1H
InChIKey QMWJFNZDRLVWQY-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 444.368 g/mol
Solvent Polysol; Reference=TMS; Temperature 297K