(3R,5S)-5-[3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylsulfonyl)benzyl]-3-pyrrolidinol
13006
Reference
(3R,5S)-5-[3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylsulfonyl)benzyl]-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-5-[3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-ol
ID: Reference13006
Other Names: NAT18-348902
Formula: C21H22FN3O4S
Spectral Data
(3R,5S)-5-[3-(3-Fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylsulfonyl)benzyl]-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 | 900 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 2/9/2024 8:59:48 AM |
Identificators
| InChI | InChI=1S/C21H22FN3O4S/c1-13-3-6-15(9-18(13)22)20-23-21(29-24-20)19-10-16(26)12-25(19)11-14-4-7-17(8-5-14)30(2,27)28/h3-9,16,19,26H,10-12H2,1-2H3/t16-,19+/m1/s1 |
| InChI Key | UCRYTUYSIFCECQ-APWZRJJASA-N |
| Canonical SMILES | CC1=C(C=C(C=C1)C2=NOC(=N2)C3CC(CN3CC4=CC=C(C=C4)S(=O)(=O)C)O)F |
| CAS | |
| Splash | |
| Other Names | NAT18-348902 |