| SpectraBase Spectrum ID |
FGOM2j2XqVS |
| Name |
N-(4-Chlorobenzyl)-2-pyridinamine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
218.061076062 u |
| Formula |
C12H11ClN2 |
| InChI |
InChI=1S/C12H11ClN2/c13-11-6-4-10(5-7-11)9-15-12-3-1-2-8-14-12/h1-8H,9H2,(H,14,15) |
| InChIKey |
QCRNCCIQUTVWLT-UHFFFAOYSA-N |
| Molecular Weight |
218.687 g/mol |
| SMILES |
C1(Cl)=CC=C(C=C1)CNC1=NC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943824 |
