| SpectraBase Spectrum ID |
8WUheTRCztR |
| Name |
3',4'-Methylenedioxy-N-isopropylaminocathinone |
| 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/c1-8(2)14-9(3)13(15)10-4-5-11-12(6-10)17-7-16-11/h4-6,8-9,14H,7H2,1-3H3 |
| InChIKey |
ZGELXFOIEWJEFM-UHFFFAOYSA-N |
| Molecular Weight |
235.283 g/mol |
| SMILES |
C12=CC(C(C(C)NC(C)C)=O)=CC=C2OCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962507 |
