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2-[(2-(2-Isopropylphenoxy)ethyl)thio]-1H-benzo[d]imidazole
SpectraBase Compound ID wWinMKEk6h
InChI InChI=1S/C18H20N2OS/c1-13(2)14-7-3-6-10-17(14)21-11-12-22-18-19-15-8-4-5-9-16(15)20-18/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKey TUDGRYFSVSDTFG-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 IjCre8qxqHt
Name 2-[(2-(2-Isopropylphenoxy)ethyl)thio]-1H-benzo[d]imidazole
Appearance Colorless solid
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Formula C18H20N2OS
InChI InChI=1S/C18H20N2OS/c1-13(2)14-7-3-6-10-17(14)21-11-12-22-18-19-15-8-4-5-9-16(15)20-18/h3-10,13H,11-12H2,1-2H3,(H,19,20)
InChIKey TUDGRYFSVSDTFG-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Molecular Weight 312.431 g/mol
Reported Formula C18H20ON2S
SMILES [nH]1c2c(nc1SCCOc1c(cccc1)C(C)C)cccc2
SPLASH splash10-0udi-0900000000-cb0f90856237a65c0fb7
Source of Spectrum MCS-8-SM22-10o
Thin-Layer Chromatography Rf = 0.26 (CH/EE, 4:1)
Wiley ID 1870717