2-[3,5-di(Trifluoromethyl)anilino]-2-oxoethyl 2,6-dichlorobenzene-1-carbothioate
8442
Reference
2-[3,5-di(Trifluoromethyl)anilino]-2-oxoethyl 2,6-dichlorobenzene-1-carbothioate Structure
Systematic / IUPAC Name: S-(2-{[3,5-Bis(trifluoromethyl)phenyl]amino}-2-oxoethyl) 2,6-dichlorobenzenecarbothioate
ID: Reference8442
Other Names: Benzenecarbothioic acid, 2,6-dichloro-, S-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxoethyl] ester
Formula: C17H9Cl2F6NO2S
Spectral Data
2-[3,5-di(Trifluoromethyl)anilino]-2-oxoethyl 2,6-dichlorobenzene-1-carbothioate mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 110 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/11/2018 10:42:07 AM |
Identificators
| InChI | InChI=1S/C17H9Cl2F6NO2S/c18-11-2-1-3-12(19)14(11)15(28)29-7-13(27)26-10-5-8(16(20,21)22)4-9(6-10)17(23,24)25/h1-6H,7H2,(H,26,27) |
| InChI Key | ABIQOLBGCPNVJX-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=C(C(=C1)Cl)C(=O)SCC(=O)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)Cl |
| CAS | |
| Splash | |
| Other Names | Benzenecarbothioic acid, 2,6-dichloro-, S-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxoethyl] ester |