SpectraBase Spectrum ID |
J66nY4v8yas |
Name |
4-Methyl-N-(3,4,5-trimethoxybenzyl)aniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
287.152143537 u |
Formula |
C17H21NO3 |
InChI |
InChI=1S/C17H21NO3/c1-12-5-7-14(8-6-12)18-11-13-9-15(19-2)17(21-4)16(10-13)20-3/h5-10,18H,11H2,1-4H3 |
InChIKey |
WNPKGWVHMDSGQK-UHFFFAOYSA-N |
SMILES |
C1(NCC2=CC(=C(C(=C2)OC)OC)OC)=CC=C(C=C1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.956287 |