SpectraBase Spectrum ID |
DOSdkSXXzmm |
Name |
1-[4-[[(4-ethanoylphenyl)amino]methylamino]phenyl]ethanone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
282.136827826 u |
Formula |
C17H18N2O2 |
InChI |
InChI=1S/C17H18N2O2/c1-12(20)14-3-7-16(8-4-14)18-11-19-17-9-5-15(6-10-17)13(2)21/h3-10,18-19H,11H2,1-2H3 |
InChIKey |
DGBPIGRJRJLPPU-UHFFFAOYSA-N |
SMILES |
C(C=1C=CC(NCNC=2C=CC(C(=O)C)=CC2)=CC1)(=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.894515 |