SpectraBase Spectrum ID |
Ls4mzdMu3UF |
Name |
N-(4-Methoxybenzyl)(2-nitrophenyl)methanamine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
272.116092380 u |
Formula |
C15H16N2O3 |
InChI |
InChI=1S/C15H16N2O3/c1-20-14-8-6-12(7-9-14)10-16-11-13-4-2-3-5-15(13)17(18)19/h2-9,16H,10-11H2,1H3 |
InChIKey |
YUMFEDPJTFIQCY-UHFFFAOYSA-N |
SMILES |
C(NCC1=CC=C(C=C1)OC)C1=C(N(=O)=O)C=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886402 |