3-[5-Benzyl-3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanoic acid
6987
Reference
3-[5-Benzyl-3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanoic acid Structure
Systematic / IUPAC Name: 3-[5-Benzyl-3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanoic acid
ID: Reference6987
Other Names: 1(6H)-Pyridazinepropanoic acid, 3-(4-fluorophenyl)-6-oxo-5-(phenylmethyl)-
Formula: C20H17FN2O3
Spectral Data
3-[5-Benzyl-3-(4-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]propanoic 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 | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 11/20/2017 11:22:11 AM |
Identificators
| InChI | InChI=1S/C20H17FN2O3/c21-17-8-6-15(7-9-17)18-13-16(12-14-4-2-1-3-5-14)20(26)23(22-18)11-10-19(24)25/h1-9,13H,10-12H2,(H,24,25) |
| InChI Key | CPINTQHFTDYCIN-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)CC2=CC(=NN(C2=O)CCC(=O)O)C3=CC=C(C=C3)F |
| CAS | |
| Splash | |
| Other Names | 1(6H)-Pyridazinepropanoic acid, 3-(4-fluorophenyl)-6-oxo-5-(phenylmethyl)- |
In Other Databases
| ChemSpider | 2088695 |
| ChEMBL | CHEMBL1705013 |
| PubChem | 2810278 |