| SpectraBase Spectrum ID |
2tIK3MSf24c |
| Name |
1-(3,4-Methylenedioxyphenyl)-4-phenethylpiperazine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
324.183778019 u |
| Formula |
C20H24N2O2 |
| InChI |
InChI=1S/C20H24N2O2/c1-2-4-17(5-3-1)8-9-21-10-12-22(13-11-21)15-18-6-7-19-20(14-18)24-16-23-19/h1-7,14H,8-13,15-16H2 |
| InChIKey |
WOGVVLUQTIBSBE-UHFFFAOYSA-N |
| Molecular Weight |
324.424 g/mol |
| SMILES |
C1=2C(=CC(CN3CCN(CC3)CCC=3C=CC=CC3)=CC2)OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945917 |
