| SpectraBase Spectrum ID |
BxE5FsfEUqR |
| Name |
2-(4-Ethyl-2,5-dimethoxyphenyl)-2-hydroxyethylamine, N-acetyl-o-propionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
323.173272904 u |
| Formula |
C17H25NO5 |
| InChI |
InChI=1S/C17H25NO5/c1-6-12-8-15(22-5)13(9-14(12)21-4)16(10-18-11(3)19)23-17(20)7-2/h8-9,16H,6-7,10H2,1-5H3,(H,18,19) |
| InChIKey |
FBEMPWAIAAJWFY-UHFFFAOYSA-N |
| Molecular Weight |
323.389 g/mol |
| SMILES |
C1=C(C(=CC(=C1OC)C(CNC(C)=O)OC(CC)=O)OC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.820405 |
