3-(2-Chlorophenyl)-2-(1,3-dithian-2-yliden)-3-oxopropanenitrile
3623
Reference
3-(2-Chlorophenyl)-2-(1,3-dithian-2-yliden)-3-oxopropanenitrile Structure
Systematic / IUPAC Name: 3-(2-Chlorophenyl)-2-(1,3-dithian-2-ylidene)-3-oxopropanenitrile
ID: Reference3623
Other Names: Benzenepropanenitrile, 2-chloro-α-1,3-dithian-2-ylidene-β-oxo-
Formula: C13H10ClNOS2
Spectral Data
3-(2-Chlorophenyl)-2-(1,3-dithian-2-yliden)-3-oxopropanenitrile 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 | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 344 |
| Tandem Spectra | MS1, MS2, MS3 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/15/2016 1:50:51 PM |
Identificators
| InChI | InChI=1S/C13H10ClNOS2/c14-11-5-2-1-4-9(11)12(16)10(8-15)13-17-6-3-7-18-13/h1-2,4-5H,3,6-7H2 |
| InChI Key | CQOUHSCIQCVCKX-UHFFFAOYSA-N |
| Canonical SMILES | C1CSC(=C(C#N)C(=O)C2=CC=CC=C2Cl)SC1 |
| CAS | |
| Splash | |
| Other Names | Benzenepropanenitrile, 2-chloro-α-1,3-dithian-2-ylidene-β-oxo- |
In Other Databases
| ChEMBL | CHEMBL1384500 |
| ChemSpider | 2097343 |
| PubChem | 2819109 |