| SpectraBase Spectrum ID |
CpoHfVBOmwG |
| Name |
2,3,4-Trimethoxyphenethylamine but,prop |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
337.188922968 u |
| Formula |
C18H27NO5 |
| InChI |
InChI=1S/C18H27NO5/c1-6-8-16(21)19(15(20)7-2)12-11-13-9-10-14(22-3)18(24-5)17(13)23-4/h9-10H,6-8,11-12H2,1-5H3 |
| InChIKey |
XCSFLODZHRNFLR-UHFFFAOYSA-N |
| Molecular Weight |
337.416 g/mol |
| SMILES |
C1(=C(C(=CC=C1CCN(C(CCC)=O)C(CC)=O)OC)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.949283 |
