5-Phenyl-3-tetrahydro-1H-pyrrol-1-ylisothiazole-4-carbonitrile

enlarge

Systematic / IUPAC Name: 5-Phenyl-3-(1-pyrrolidinyl)-1,2-thiazole-4-carbonitrile

ID: Reference7112

Other Names: 4-Isothiazolecarbonitrile, 5-phenyl-3-(1-pyrrolidinyl)-

Formula: C14H13N3S

Spectral Data

5-Phenyl-3-tetrahydro-1H-pyrrol-1-ylisothiazole-4-carbonitrile 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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/30/2017 12:04:38 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C14H13N3S/c15-10-12-13(11-6-2-1-3-7-11)18-16-14(12)17-8-4-5-9-17/h1-3,6-7H,4-5,8-9H2
InChI Key LACGKDYFHSVEQJ-UHFFFAOYSA-N
Canonical SMILES C1CCN(C1)C2=NSC(=C2C#N)C3=CC=CC=C3
CAS
Splash
Other Names 4-Isothiazolecarbonitrile, 5-phenyl-3-(1-pyrrolidinyl)-

In Other Databases

ChemSpider 2021701
ChEMBL CHEMBL1410151
PubChem 2740105