| SpectraBase Spectrum ID |
1Rah2xNQXHh |
| Name |
N-Acetyl-N-isopropyl-3,4-methylenedioxyamphetamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
263.152143537 u |
| Formula |
C15H21NO3 |
| InChI |
InChI=1S/C15H21NO3/c1-10(2)16(12(4)17)11(3)7-13-5-6-14-15(8-13)19-9-18-14/h5-6,8,10-11H,7,9H2,1-4H3 |
| InChIKey |
YTBZDHBWMJEJPY-UHFFFAOYSA-N |
| Molecular Weight |
263.337 g/mol |
| SMILES |
C(N(C(C)C)C(=O)C)(C)CC1=CC2=C(C=C1)OCO2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978377 |
