(3R,5S)-5-(3-{[(4-Fluorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-(2,3,4-trimethoxybenzyl)-3-pyrrolidinol
12452
Reference
(3R,5S)-5-(3-{[(4-Fluorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-(2,3,4-trimethoxybenzyl)-3-pyrrolidinol Structure
Systematic / IUPAC Name: (3R,5S)-5-[3-[(4-Fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-3-ol
ID: Reference12452
Other Names: NAT18-348385
Formula: C23H26FN3O7S
Spectral Data
(3R,5S)-5-(3-{[(4-Fluorophenyl)sulfonyl]methyl}-1,2,4-oxadiazol-5-yl)-1-(2,3,4-trimethoxybenzyl)-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 | 1373 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 4/17/2023 11:04:39 AM |
Identificators
| InChI | InChI=1S/C23H26FN3O7S/c1-31-19-9-4-14(21(32-2)22(19)33-3)11-27-12-16(28)10-18(27)23-25-20(26-34-23)13-35(29,30)17-7-5-15(24)6-8-17/h4-9,16,18,28H,10-13H2,1-3H3/t16-,18+/m1/s1 |
| InChI Key | NPZSSQIMBIDQLS-AEFFLSMTSA-N |
| Canonical SMILES | COC1=C(C(=C(C=C1)CN2CC(CC2C3=NC(=NO3)CS(=O)(=O)C4=CC=C(C=C4)F)O)OC)OC |
| CAS | |
| Splash | |
| Other Names | NAT18-348385 |