(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorobenzyl)-3-pyrrolidinol
11099
Reference
(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorobenzyl)-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-5-[3-[(2-Chloro-4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-1-[(4-fluorophenyl)methyl]pyrrolidin-3-ol
ID: Reference11099
Other Names: NAT18-382909
Formula: C20H18ClF2N3O2
Spectral Data
(3R,5S)-5-[3-(2-Chloro-4-fluorobenzyl)-1,2,4-oxadiazol-5-yl]-1-(4-fluorobenzyl)-3-pyrrolidinol 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 | 420 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 12/3/2021 1:19:30 PM |
Identificators
| InChI | InChI=1S/C20H18ClF2N3O2/c21-17-8-15(23)6-3-13(17)7-19-24-20(28-25-19)18-9-16(27)11-26(18)10-12-1-4-14(22)5-2-12/h1-6,8,16,18,27H,7,9-11H2/t16-,18+/m1/s1 |
| InChI Key | MMGPFXHIZVNUBO-AEFFLSMTSA-N |
| Canonical SMILES | C1C(CN(C1C2=NC(=NO2)CC3=C(C=C(C=C3)F)Cl)CC4=CC=C(C=C4)F)O |
| CAS | |
| Splash | |
| Other Names | NAT18-382909 |