| SpectraBase Spectrum ID |
5JqN35FP4mF |
| Name |
N-(3,4-Dimethoxybenzyl)-2-(4-fluorophenyl)ethanamine, 1ac derivative |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.158371732 u |
| Formula |
C19H22FNO3 |
| InChI |
InChI=1S/C19H22FNO3/c1-14(22)21(11-10-15-4-7-17(20)8-5-15)13-16-6-9-18(23-2)19(12-16)24-3/h4-9,12H,10-11,13H2,1-3H3 |
| InChIKey |
NLTOOSIBOJWDKM-UHFFFAOYSA-N |
| Molecular Weight |
331.387 g/mol |
| SMILES |
C1(F)=CC=C(C=C1)CCN(CC1=CC(=C(C=C1)OC)OC)C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.835269 |
