For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-((2-(4-Chloro-3-methylphenoxy)ethyl)thio)-1H-benzo[d]imidazole
SpectraBase Compound ID IlJApqp8qb2
InChI InChI=1S/C16H15ClN2OS/c1-11-10-12(6-7-13(11)17)20-8-9-21-16-18-14-4-2-3-5-15(14)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKey HQEGSDNEDAMRKT-UHFFFAOYSA-N
Mol Weight 318.82 g/mol
Molecular Formula C16H15ClN2OS
Exact Mass 318.059362 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID IqgyMZOtZa
Name 2-((2-(4-Chloro-3-methylphenoxy)ethyl)thio)-1H-benzo[d]imidazole
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H15ClN2OS
InChI InChI=1S/C16H15ClN2OS/c1-11-10-12(6-7-13(11)17)20-8-9-21-16-18-14-4-2-3-5-15(14)19-16/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKey HQEGSDNEDAMRKT-UHFFFAOYSA-N
Instrument Name Finnigan MAT 90
Ionization Type EI
Literature Reference DOI 10.1021/acsmedchemlett.7b00100
Molecular Weight 318.822 g/mol
Reported Formula C16H15ON2ClS
SMILES [nH]1c2c(nc1SCCOc1cc(c(Cl)cc1)C)cccc2
SPLASH splash10-0udi-0900000000-5241f6c843b26d003e40
Source of Spectrum MCS-8-SM17-10f
Thin-Layer Chromatography Rf = 0.46 (CH/EE, 2:1)
Wiley ID 1870709