| SpectraBase Spectrum ID |
FsQtU5pBYAq |
| Name |
Pyrrolidine, 1-benzyl-2-(1-hydroxyethyl)-, (R or S) |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
205.146664235 u |
| Formula |
C13H19NO |
| InChI |
InChI=1S/C13H19NO/c1-11(15)13-8-5-9-14(13)10-12-6-3-2-4-7-12/h2-4,6-7,11,13,15H,5,8-10H2,1H3 |
| InChIKey |
JSRAEDXBOQJSHZ-UHFFFAOYSA-N |
| Molecular Weight |
205.301 g/mol |
| SMILES |
C1=CC(CN2C(C(O)C)CCC2)=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.910983 |
