SpectraBase Spectrum ID |
EF6glyueHgi |
Name |
3-[(3,4-Dimethoxyphenyl)carbonyl]aniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
257.105193344 u |
Formula |
C15H15NO3 |
InChI |
InChI=1S/C15H15NO3/c1-18-13-7-6-11(9-14(13)19-2)15(17)10-4-3-5-12(16)8-10/h3-9H,16H2,1-2H3 |
InChIKey |
HFZPYPRRAVDPBX-UHFFFAOYSA-N |
Molecular Weight |
257.289 g/mol |
SMILES |
C1(=CC(C(=O)C2=CC(N)=CC=C2)=CC=C1OC)OC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800636 |