Systematic / IUPAC Name: (3R,5S)-5-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[[3-(trifluoromethoxy)phenyl]methyl]pyrrolidin-3-ol
ID: Reference9748
Other Names:
3-Pyrrolidinol, 5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[[3-(trifluoromethoxy)phenyl]methyl]-, (3R,5S)-;
NAT18-348955
Formula: C21H20F3N3O3
(3R,5S)-5-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[3-(trifluoromethoxy)benzyl]-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 | 2 |
No. of Spectra | 1461 |
Tandem Spectra | MS1, MS2, MS3, MS4, MS5 |
Ionization Methods | NSI |
Analyzers | FT |
Last Modification | 6/5/2020 8:18:10 AM |
InChI | InChI=1S/C21H20F3N3O3/c1-13-4-2-6-15(8-13)19-25-20(30-26-19)18-10-16(28)12-27(18)11-14-5-3-7-17(9-14)29-21(22,23)24/h2-9,16,18,28H,10-12H2,1H3/t16-,18+/m1/s1 |
InChI Key | OABOOFXHNHAASM-AEFFLSMTSA-N |
Canonical SMILES | CC1=CC(=CC=C1)C2=NOC(=N2)C3CC(CN3CC4=CC(=CC=C4)OC(F)(F)F)O |
CAS | |
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Other Names |
3-Pyrrolidinol, 5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[[3-(trifluoromethoxy)phenyl]methyl]-, (3R,5S)-; NAT18-348955 |