| SpectraBase Spectrum ID |
E1np1aJZsrc |
| Name |
N-Methyl-2-{(3R,4R)-4-[(methylthio)methyl]-2-oxo-1-phenethylpyrrolidin-3-yl}acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.155849193 u |
| Formula |
C17H24N2O2S |
| InChI |
InChI=1S/C17H24N2O2S/c1-18-16(20)10-15-14(12-22-2)11-19(17(15)21)9-8-13-6-4-3-5-7-13/h3-7,14-15H,8-12H2,1-2H3,(H,18,20)/t14-,15-/m1/s1 |
| InChIKey |
FZAJCHHUKQMCDR-HUUCEWRRSA-N |
| Molecular Weight |
320.451 g/mol |
| SMILES |
C(C[C@]1(C(N(C[C@@]1(CSC)[H])CCC1=CC=CC=C1)=O)[H])(=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.86553 |
![N-Methyl-2-{(3R,4R)-4-[(methylthio)methyl]-2-oxo-1-phenethylpyrrolidin-3-yl}acetamide](/api/spectrum/E1np1aJZsrc/structure.png?h=300&w=458 "N-Methyl-2-{(3R,4R)-4-[(methylthio)methyl]-2-oxo-1-phenethylpyrrolidin-3-yl}acetamide")
