4-Oxo-2-phenyl-4-(2-thienyl)butanoic acid
6799
Reference
4-Oxo-2-phenyl-4-(2-thienyl)butanoic acid Structure
Systematic / IUPAC Name: 4-Oxo-2-phenyl-4-(2-thienyl)butanoic acid
ID: Reference6799
Other Names: 2-Thiophenebutanoic acid, γ-oxo-α-phenyl-
Formula: C14H12O3S
Spectral Data
4-Oxo-2-phenyl-4-(2-thienyl)butanoic acid 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 | 9/8/2017 12:11:20 PM |
Identificators
| InChI | InChI=1S/C14H12O3S/c15-12(13-7-4-8-18-13)9-11(14(16)17)10-5-2-1-3-6-10/h1-8,11H,9H2,(H,16,17) |
| InChI Key | CUDYWZUJKVKFHB-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)C(CC(=O)C2=CC=CS2)C(=O)O |
| CAS | |
| Splash | |
| Other Names | 2-Thiophenebutanoic acid, γ-oxo-α-phenyl- |
In Other Databases
| PubChem | 2727921 |
| ChemSpider | 2009929 |
| ChEMBL | CHEMBL1305979 |