| SpectraBase Spectrum ID |
7EkrXGMUlVx |
| Name |
(5S)-1-Benzyl-5-methoxymethyl-3-ethyl-2-pyrrolidinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
247.157228918 u |
| Formula |
C15H21NO2 |
| InChI |
InChI=1S/C15H21NO2/c1-3-13-9-14(11-18-2)16(15(13)17)10-12-7-5-4-6-8-12/h4-8,13-14H,3,9-11H2,1-2H3/t13?,14-/m0/s1 |
| InChIKey |
XKOWFYISZFBUFT-KZUDCZAMSA-N |
| Molecular Weight |
247.338 g/mol |
| SMILES |
C1(N([C@@](CC1CC)(COC)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.919223 |
