1-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone
6105
Reference
1-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone Structure
Systematic / IUPAC Name: 1-[3-(4-Chlorophenyl)sulfonyl-2-hydroxypropyl]pyrrolidin-2-one
ID: Reference6105
Other Names: 2-Pyrrolidinone, 1-{3-[(4-chlorophenyl)sulfonyl]-2-hydroxypropyl}-
Formula: C13H16ClNO4S
Spectral Data
1-{3-[(4-Chlorophenyl)sulfonyl]-2-hydroxypropyl}-2-pyrrolidinone 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 | 119 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/28/2016 6:43:55 AM |
Identificators
| InChI | InChI=1S/C13H16ClNO4S/c14-10-3-5-12(6-4-10)20(18,19)9-11(16)8-15-7-1-2-13(15)17/h3-6,11,16H,1-2,7-9H2 |
| InChI Key | AOJUVACYBFAGGL-UHFFFAOYSA-N |
| Canonical SMILES | C1CC(=O)N(C1)CC(CS(=O)(=O)C2=CC=C(C=C2)Cl)O |
| CAS | |
| Splash | |
| Other Names | 2-Pyrrolidinone, 1-{3-[(4-chlorophenyl)sulfonyl]-2-hydroxypropyl}- |
In Other Databases
| PubChem | 2726010 |
| ChemSpider | 2008082 |
| ChEMBL | CHEMBL1538122 |