| SpectraBase Spectrum ID |
LDlwCFmDOZU |
| Name |
2-(3,4-Dimethoxyphenyl)-N-(3-methylbenzyl)ethan-1-amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
285.172878983 u |
| Formula |
C18H23NO2 |
| InChI |
InChI=1S/C18H23NO2/c1-14-5-4-6-16(11-14)13-19-10-9-15-7-8-17(20-2)18(12-15)21-3/h4-8,11-12,19H,9-10,13H2,1-3H3 |
| InChIKey |
WNAXZTIJDZFQLU-UHFFFAOYSA-N |
| SMILES |
C=1(C(=CC=C(C1)CCNCC1=CC(=CC=C1)C)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965539 |