4-({(3S)-3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl}methyl)benzoic acid
11875
Reference
4-({(3S)-3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl}methyl)benzoic acid Structure
Systematic / IUPAC Name: 4-[[(3S)-3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methyl]benzoic acid
ID: Reference11875
Other Names: NAT31-458860
Formula: C20H18ClN3O3
Spectral Data
4-({(3S)-3-[5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl]-1-pyrrolidinyl}methyl)benzoic 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 | Orbitrap Fusion Lumos with ETD LBP |
| No. of Spectral Trees | 1 |
| No. of Spectra | 1856 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 10/21/2022 8:09:18 AM |
Identificators
| InChI | InChI=1S/C20H18ClN3O3/c21-17-7-5-14(6-8-17)18-22-23-19(27-18)16-9-10-24(12-16)11-13-1-3-15(4-2-13)20(25)26/h1-8,16H,9-12H2,(H,25,26)/t16-/m0/s1 |
| InChI Key | MMRCTIORGCIXFO-INIZCTEOSA-N |
| Canonical SMILES | C1CN(CC1C2=NN=C(O2)C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)C(=O)O |
| CAS | |
| Splash | |
| Other Names | NAT31-458860 |