| SpectraBase Spectrum ID |
8eMIVyusNmo |
| Name |
1 -[2 -Hydroxy-3 -(3,4 -dimethoxybenzylamino) -propyl]pyrrolidin-2 -one hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.173607257 u |
| Formula |
C16H24N2O4 |
| InChI |
InChI=1S/C16H24N2O4/c1-21-14-6-5-12(8-15(14)22-2)9-17-10-13(19)11-18-7-3-4-16(18)20/h5-6,8,13,17,19H,3-4,7,9-11H2,1-2H3 |
| InChIKey |
VUGZZIHFBUIMCJ-UHFFFAOYSA-N |
| Molecular Weight |
308.378 g/mol |
| SMILES |
C1(N(CCC1)CC(O)CNCC=1C=C(OC)C(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924192 |
![1 -[2 -Hydroxy-3 -(3,4 -dimethoxybenzylamino) -propyl]pyrrolidin-2 -one hydrochloride](/api/spectrum/8eMIVyusNmo/structure.png?h=300&w=458 "1 -[2 -Hydroxy-3 -(3,4 -dimethoxybenzylamino) -propyl]pyrrolidin-2 -one hydrochloride")
