2-(2-Methoxyphenyl)-5-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-1,3,4-oxadiazole
11558
Reference
2-(2-Methoxyphenyl)-5-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-1,3,4-oxadiazole Structure
Systematic / IUPAC Name: 2-(2-Methoxyphenyl)-5-[(3S)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]-1,3,4-oxadiazole
ID: Reference11558
Other Names: NAT31-459606
Formula: C21H20F3N3O2
Spectral Data
2-(2-Methoxyphenyl)-5-{(3S)-1-[4-(trifluoromethyl)benzyl]-3-pyrrolidinyl}-1,3,4-oxadiazole 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 | 2143 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 7/12/2022 9:11:58 AM |
Identificators
| InChI | InChI=1S/C21H20F3N3O2/c1-28-18-5-3-2-4-17(18)20-26-25-19(29-20)15-10-11-27(13-15)12-14-6-8-16(9-7-14)21(22,23)24/h2-9,15H,10-13H2,1H3/t15-/m0/s1 |
| InChI Key | ANRILASXSDDZHB-HNNXBMFYSA-N |
| Canonical SMILES | COC1=CC=CC=C1C2=NN=C(O2)C3CCN(C3)CC4=CC=C(C=C4)C(F)(F)F |
| CAS | |
| Splash | |
| Other Names | NAT31-459606 |