| SpectraBase Spectrum ID |
4SOxKUBmu7r |
| Name |
2-(2,5-Dimethoxy-4-(2-acetoxyethyl)phenyl)ethylamine, N-acetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
309.157622840 u |
| Formula |
C16H23NO5 |
| InChI |
InChI=1S/C16H23NO5/c1-11(18)17-7-5-13-9-16(21-4)14(10-15(13)20-3)6-8-22-12(2)19/h9-10H,5-8H2,1-4H3,(H,17,18) |
| InChIKey |
SKYFWRFYUVZWLB-UHFFFAOYSA-N |
| SMILES |
C1=C(C(=CC(=C1OC)CCNC(C)=O)OC)CCOC(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873689 |
