SpectraBase Spectrum ID |
FyuL5MuB3Yd |
Name |
5-Chloro-2-(3-methoxyphenoxy)aniline |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
249.055656328 u |
Formula |
C13H12ClNO2 |
InChI |
InChI=1S/C13H12ClNO2/c1-16-10-3-2-4-11(8-10)17-13-6-5-9(14)7-12(13)15/h2-8H,15H2,1H3 |
InChIKey |
FXFJQBAQYFXCBZ-UHFFFAOYSA-N |
Molecular Weight |
249.697 g/mol |
SMILES |
C1(=C(C=C(C=C1)Cl)N)OC1=CC(OC)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93305 |