| SpectraBase Spectrum ID |
55AQYvNX7hv |
| Name |
2-{(3R,4R)-1-(4-Methoxyphenyl)-4-[(methylthio)methyl]-2-oxopyrrolidin-3-yl}-N-methylacetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
322.135113747 u |
| Formula |
C16H22N2O3S |
| InChI |
InChI=1S/C16H22N2O3S/c1-17-15(19)8-14-11(10-22-3)9-18(16(14)20)12-4-6-13(21-2)7-5-12/h4-7,11,14H,8-10H2,1-3H3,(H,17,19)/t11-,14-/m1/s1 |
| InChIKey |
OSYSPULOSICWNG-BXUZGUMPSA-N |
| Molecular Weight |
322.423 g/mol |
| SMILES |
C(C[C@]1(C(N(C[C@@]1(CSC)[H])C1=CC=C(C=C1)OC)=O)[H])(=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959392 |
![2-{(3R,4R)-1-(4-Methoxyphenyl)-4-[(methylthio)methyl]-2-oxopyrrolidin-3-yl}-N-methylacetamide](/api/spectrum/55AQYvNX7hv/structure.png?h=300&w=458 "2-{(3R,4R)-1-(4-Methoxyphenyl)-4-[(methylthio)methyl]-2-oxopyrrolidin-3-yl}-N-methylacetamide")
