| SpectraBase Spectrum ID |
EfPBowpXbyp |
| Name |
2-{(3R,4R)-1-Butyl-4-[(methylthio)methyl]-2-oxopyrrolidin-3-yl}-N-(4-methoxyphenyl)acetamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
364.182063941 u |
| Formula |
C19H28N2O3S |
| InChI |
InChI=1S/C19H28N2O3S/c1-4-5-10-21-12-14(13-25-3)17(19(21)23)11-18(22)20-15-6-8-16(24-2)9-7-15/h6-9,14,17H,4-5,10-13H2,1-3H3,(H,20,22)/t14-,17-/m1/s1 |
| InChIKey |
UUGHQANEKWDSNT-RHSMWYFYSA-N |
| Molecular Weight |
364.504 g/mol |
| SMILES |
C(C[C@]1(C(N(C[C@@]1(CSC)[H])CCCC)=O)[H])(=O)NC1=CC=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.801996 |
![2-{(3R,4R)-1-Butyl-4-[(methylthio)methyl]-2-oxopyrrolidin-3-yl}-N-(4-methoxyphenyl)acetamide](/api/spectrum/EfPBowpXbyp/structure.png?h=300&w=458 "2-{(3R,4R)-1-Butyl-4-[(methylthio)methyl]-2-oxopyrrolidin-3-yl}-N-(4-methoxyphenyl)acetamide")
