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2-((2-(o-Tolyloxy)ethyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID 4iFGUcJDzwc
InChI InChI=1S/C16H16N2OS/c1-12-6-2-5-9-15(12)19-10-11-20-16-17-13-7-3-4-8-14(13)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey AAPVCQWLJSSUGW-UHFFFAOYSA-N
Mol Weight 284.38 g/mol
Molecular Formula C16H16N2OS
Exact Mass 284.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZFXPhFDxnE
Name 2-((2-(o-Tolyloxy)ethyl)thio)-1H-benzo[d]imidazole
Appearance Colorless solid
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Formula C16H16N2OS
InChI InChI=1S/C16H16N2OS/c1-12-6-2-5-9-15(12)19-10-11-20-16-17-13-7-3-4-8-14(13)18-16/h2-9H,10-11H2,1H3,(H,17,18)
InChIKey AAPVCQWLJSSUGW-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Molecular Weight 284.377 g/mol
SMILES [nH]1c2c(nc1SCCOc1c(cccc1)C)cccc2
SPLASH splash10-0udi-0910000000-ef7d24eec35ef796517b
Source of Spectrum MCS-8-SM19-10i
Thin-Layer Chromatography Rf = 0.61 (CH/EE, 4:1)
Wiley ID 1870712