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2-((2-(m-Tolyloxy)ethyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID LS7SXOTt36f
InChI InChI=1S/C16H16N2OS/c1-12-5-4-6-13(11-12)19-9-10-20-16-17-14-7-2-3-8-15(14)18-16/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKey MLJDCSAVGZDAQR-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 2u3TYOJgPy6
Name 2-((2-(m-Tolyloxy)ethyl)thio)-1H-benzo[d]imidazole
Appearance Colorless solid
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Formula C16H16N2OS
InChI InChI=1S/C16H16N2OS/c1-12-5-4-6-13(11-12)19-9-10-20-16-17-14-7-2-3-8-15(14)18-16/h2-8,11H,9-10H2,1H3,(H,17,18)
InChIKey MLJDCSAVGZDAQR-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Molecular Weight 284.377 g/mol
Reported Formula C16H16ON2S
SMILES [nH]1c2c(nc1SCCOc1cc(ccc1)C)cccc2
SPLASH splash10-0ue9-0900000000-8dbff7033459be36dd67
Source of Spectrum MCS-8-SM16-10b
Thin-Layer Chromatography Rf = 0.56 (CH/EE, 2:1)
Wiley ID 1870705