| SpectraBase Spectrum ID |
7L2ycnLjbe7 |
| Name |
N-Ethyl-1-(2-methoxy-4,5-methylenedioxyphenyl)butan-2-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
251.152143537 u |
| Formula |
C14H21NO3 |
| InChI |
InChI=1S/C14H21NO3/c1-4-11(15-5-2)6-10-7-13-14(18-9-17-13)8-12(10)16-3/h7-8,11,15H,4-6,9H2,1-3H3 |
| InChIKey |
QDRDWWXZDWRWAK-UHFFFAOYSA-N |
| Molecular Weight |
251.326 g/mol |
| SMILES |
C=1(C(=CC2=C(C1)OCO2)OC)CC(NCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85313 |
