| SpectraBase Spectrum ID |
KCJYOTkBMEd |
| Name |
3,4-Dimethoxyphenethylamine 4-propylbenzoyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
327.183443666 u |
| Formula |
C20H25NO3 |
| InChI |
InChI=1S/C20H25NO3/c1-4-5-15-6-9-17(10-7-15)20(22)21-13-12-16-8-11-18(23-2)19(14-16)24-3/h6-11,14H,4-5,12-13H2,1-3H3,(H,21,22) |
| InChIKey |
QZLKXHPJZYPUJB-UHFFFAOYSA-N |
| Molecular Weight |
327.424 g/mol |
| SMILES |
C=1(C(NCCC2=CC(=C(C=C2)OC)OC)=O)C=CC(=CC1)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964791 |
