| SpectraBase Spectrum ID |
9pzG7W3UXoV |
| Name |
2-Aminoanthraquinone, N-chlorodifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.016077145 u |
| Formula |
C16H8ClF2NO3 |
| InChI |
InChI=1S/C16H8ClF2NO3/c17-16(18,19)15(23)20-8-5-6-11-12(7-8)14(22)10-4-2-1-3-9(10)13(11)21/h1-7H,(H,20,23) |
| InChIKey |
WYPJILFMQXBDBM-UHFFFAOYSA-N |
| Molecular Weight |
335.694 g/mol |
| SMILES |
C1(C2=C(C(C3=C1C=CC(=C3)NC(C(F)(F)Cl)=O)=O)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.807665 |
