3-(2-Chlorophenyl)-2-(1,3-dithian-2-yliden)-3-oxopropanenitrile

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.

View Mass Spectra

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
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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
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Other Names Benzenepropanenitrile, 2-chloro-α-1,3-dithian-2-ylidene-β-oxo-

In Other Databases

ChEMBL CHEMBL1384500
ChemSpider 2097343
PubChem 2819109