| SpectraBase Spectrum ID |
D9qRJ3PB1Dt |
| Name |
3',4'-Methylenedioxy-N-propylaminocathinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
235.120843408 u |
| Formula |
C13H17NO3 |
| InChI |
InChI=1S/C13H17NO3/c1-3-6-14-9(2)13(15)10-4-5-11-12(7-10)17-8-16-11/h4-5,7,9,14H,3,6,8H2,1-2H3 |
| InChIKey |
YFVKHKCZBSGZPE-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C12=CC(C(C(C)NCCC)=O)=CC=C2OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.825008 |
