| SpectraBase Spectrum ID |
2PLmgFnYgQY |
| Name |
3,4-Methylenedioxy-N,N-diethylbenzylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
207.125928789 u |
| Formula |
C12H17NO2 |
| InChI |
InChI=1S/C12H17NO2/c1-3-13(4-2)8-10-5-6-11-12(7-10)15-9-14-11/h5-7H,3-4,8-9H2,1-2H3 |
| InChIKey |
YYRWIUPWYZOQBV-UHFFFAOYSA-N |
| Molecular Weight |
207.273 g/mol |
| SMILES |
C12=CC(=CC=C2OCO1)CN(CC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931243 |