2-[(2-Chloro-3,4-dimethoxybenzyl)thio]-1-(3,4-dichlorophenyl)ethan-1-one

enlarge

Systematic / IUPAC Name: 2-[(2-Chloro-3,4-dimethoxybenzyl)sulfanyl]-1-(3,4-dichlorophenyl)ethanone

ID: Reference5572

Other Names: Ethanone, 2-{[(2-chloro-3,4-dimethoxyphenyl)methyl]thio}-1-(3,4-dichlorophenyl)-

Formula: C17H15Cl3O3S

Spectral Data

2-[(2-Chloro-3,4-dimethoxybenzyl)thio]-1-(3,4-dichlorophenyl)ethan-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 2
No. of Spectra 176
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 9/12/2016 11:44:15 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C17H15Cl3O3S/c1-22-15-6-4-11(16(20)17(15)23-2)8-24-9-14(21)10-3-5-12(18)13(19)7-10/h3-7H,8-9H2,1-2H3
InChI Key OCBNZVNESRTMRG-UHFFFAOYSA-N
Canonical SMILES COC1=C(C(=C(C=C1)CSCC(=O)C2=CC(=C(C=C2)Cl)Cl)Cl)OC
CAS
Splash
Other Names Ethanone, 2-{[(2-chloro-3,4-dimethoxyphenyl)methyl]thio}-1-(3,4-dichlorophenyl)-

In Other Databases

PubChem 2801490
ChemSpider 2080200