(3R,5S)-5-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylsulfonyl)benzyl]-3-pyrrolidinol
12445
Reference
(3R,5S)-5-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(methylsulfonyl)benzyl]-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-5-[3-(3-Methylphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-3-ol
ID: Reference12445
Other Names: NAT18-348958
Formula: C21H23N3O4S
Spectral Data
(3R,5S)-5-[3-(3-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 | 1010 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/17/2023 10:29:22 AM |
Identificators
| InChI | InChI=1S/C21H23N3O4S/c1-14-4-3-5-16(10-14)20-22-21(28-23-20)19-11-17(25)13-24(19)12-15-6-8-18(9-7-15)29(2,26)27/h3-10,17,19,25H,11-13H2,1-2H3/t17-,19+/m1/s1 |
| InChI Key | WKLCSSJKDXDDJG-MJGOQNOKSA-N |
| Canonical SMILES | CC1=CC(=CC=C1)C2=NOC(=N2)C3CC(CN3CC4=CC=C(C=C4)S(=O)(=O)C)O |
| CAS | |
| Splash | |
| Other Names | NAT18-348958 |