| SpectraBase Spectrum ID |
Bk0cmd4xG3v |
| Name |
3-Chloro-4-(4-chlorophenoxy)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
253.006119313 u |
| Formula |
C12H9Cl2NO |
| InChI |
InChI=1S/C12H9Cl2NO/c13-8-1-4-10(5-2-8)16-12-6-3-9(15)7-11(12)14/h1-7H,15H2 |
| InChIKey |
OQOCWFFSZSSEDS-UHFFFAOYSA-N |
| Molecular Weight |
254.116 g/mol |
| SMILES |
C1(OC2=CC=C(C=C2)Cl)=C(Cl)C=C(C=C1)N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900203 |
