| SpectraBase Spectrum ID |
JtCZRiO2Epq |
| Name |
N-(4-Methoxybenzyl)beta-methylphenethylamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
255.162314299 u |
| Formula |
C17H21NO |
| InChI |
InChI=1S/C17H21NO/c1-14(16-6-4-3-5-7-16)12-18-13-15-8-10-17(19-2)11-9-15/h3-11,14,18H,12-13H2,1-2H3 |
| InChIKey |
DPNBCHNGXQMDIW-UHFFFAOYSA-N |
| Molecular Weight |
255.361 g/mol |
| SMILES |
C=1(CNCC(C2=CC=CC=C2)C)C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.927395 |
