| SpectraBase Spectrum ID |
1Xfotp9M8g4 |
| Name |
N-iso-Propyl-beta-methoxy-3,4-methylenedioxyphenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.136493473 u |
| Formula |
C13H19NO3 |
| InChI |
InChI=1S/C13H19NO3/c1-9(2)14-7-13(15-3)10-4-5-11-12(6-10)17-8-16-11/h4-6,9,13-14H,7-8H2,1-3H3 |
| InChIKey |
NFYSZLCADGLYFE-UHFFFAOYSA-N |
| Molecular Weight |
237.299 g/mol |
| SMILES |
C=1(C(CNC(C)C)OC)C=C2C(=CC1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975997 |
