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2-[(2-(2,5-Dimethylphenoxy)ethyl)thio]-1H-benzo[d]imidazole
SpectraBase Compound ID JhmeetvFm5a
InChI InChI=1S/C17H18N2OS/c1-12-7-8-13(2)16(11-12)20-9-10-21-17-18-14-5-3-4-6-15(14)19-17/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKey BFBBPEYMZZKULI-UHFFFAOYSA-N
Mol Weight 298.4 g/mol
Molecular Formula C17H18N2OS
Exact Mass 298.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fcPkCHyXXa
Name 2-[(2-(2,5-Dimethylphenoxy)ethyl)thio]-1H-benzo[d]imidazole
Appearance Colorless solid
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Formula C17H18N2OS
InChI InChI=1S/C17H18N2OS/c1-12-7-8-13(2)16(11-12)20-9-10-21-17-18-14-5-3-4-6-15(14)19-17/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKey BFBBPEYMZZKULI-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Reported Formula C17H18ON2S
SMILES [nH]1c2c(nc1SCCOc1c(ccc(C)c1)C)cccc2
SPLASH splash10-0udj-0910000000-ad16420700a586160357
Source of Spectrum MCS-8-SM21-10l
Thin-Layer Chromatography Rf = 0.62 (CH/EE, 4:1)
Wiley ID 1870714