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2-((2-(3-Isopropylphenoxy)ethyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID 3MzsqWqM4QE
InChI InChI=1S/C18H20N2OS/c1-13(2)14-6-5-7-15(12-14)21-10-11-22-18-19-16-8-3-4-9-17(16)20-18/h3-9,12-13H,10-11H2,1-2H3,(H,19,20)
InChIKey BOVXCECIWKIKTO-UHFFFAOYSA-N
Mol Weight 312.43 g/mol
Molecular Formula C18H20N2OS
Exact Mass 312.129634 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FLE4pG1nUgx
Name 2-((2-(3-Isopropylphenoxy)ethyl)thio)-1H-benzo[d]imidazole
Appearance Colorless solid
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Formula C18H20N2OS
InChI InChI=1S/C18H20N2OS/c1-13(2)14-6-5-7-15(12-14)21-10-11-22-18-19-16-8-3-4-9-17(16)20-18/h3-9,12-13H,10-11H2,1-2H3,(H,19,20)
InChIKey BOVXCECIWKIKTO-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Reported Formula C18H20ON2S
SMILES [nH]1c2c(nc1SCCOc1cc(C(C)C)ccc1)cccc2
SPLASH splash10-0udi-0900000000-19128f8952b4f5c0e0f5
Source of Spectrum MCS-8-SM21-10m
Thin-Layer Chromatography Rf = 0.56 (CH/EE, 4:1)
Wiley ID 1870715