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2-((2-([1,1'-biphenyl]-4-yloxy)ethyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID 6SB0dbWfRkS
InChI InChI=1S/C21H18N2OS/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)24-14-15-25-21-22-19-8-4-5-9-20(19)23-21/h1-13H,14-15H2,(H,22,23)
InChIKey NWNSVQVRUFWPAU-UHFFFAOYSA-N
Mol Weight 346.45 g/mol
Molecular Formula C21H18N2OS
Exact Mass 346.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8HpluBTncOr
Name 2-((2-([1,1'-biphenyl]-4-yloxy)ethyl)thio)-1H-benzo[d]imidazole
Appearance Colorless solid
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Formula C21H18N2OS
InChI InChI=1S/C21H18N2OS/c1-2-6-16(7-3-1)17-10-12-18(13-11-17)24-14-15-25-21-22-19-8-4-5-9-20(19)23-21/h1-13H,14-15H2,(H,22,23)
InChIKey NWNSVQVRUFWPAU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Molecular Weight 346.448 g/mol
Reported Formula C21H18ON2S
SMILES [nH]1c2c(nc1SCCOc1ccc(cc1)-c1ccccc1)cccc2
SPLASH splash10-0ufs-0900000000-94e01fb98aa02ed4f34d
Source of Spectrum MCS-8-SM22-10n
Thin-Layer Chromatography Rf = 0.50 (CH/EE, 2:1)
Wiley ID 1870716