Systematic / IUPAC Name: (3R,5S)-1-[(4-Methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
ID: Reference9874
Other Names:
3-Pyrrolidinol, 1-[(4-methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-, (3R,5S)-;
NAT18-348775
Formula: C21H20F3N3O3
(3R,5S)-1-(4-Methylbenzyl)-5-{3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl}-3-pyrrolidinol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 8/18/2020 9:38:58 AM |
InChI | InChI=1S/C21H20F3N3O3/c1-13-2-4-14(5-3-13)11-27-12-16(28)10-18(27)20-25-19(26-30-20)15-6-8-17(9-7-15)29-21(22,23)24/h2-9,16,18,28H,10-12H2,1H3/t16-,18+/m1/s1 |
InChI Key | SNVSMZSFQCBXBF-AEFFLSMTSA-N |
Canonical SMILES | CC1=CC=C(C=C1)CN2CC(CC2C3=NC(=NO3)C4=CC=C(C=C4)OC(F)(F)F)O |
CAS | |
Splash | |
Other Names |
3-Pyrrolidinol, 1-[(4-methylphenyl)methyl]-5-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-, (3R,5S)-; NAT18-348775 |