| SpectraBase Spectrum ID |
6ybp2lurCF5 |
| Name |
4-Amino-1,2-benzenediol, N,o,o'-tris(trifluoroacetyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.994575695 u |
| Formula |
C12H4F9NO5 |
| InChI |
InChI=1S/C12H4F9NO5/c13-10(14,15)7(23)22-4-1-2-5(26-8(24)11(16,17)18)6(3-4)27-9(25)12(19,20)21/h1-3H,(H,22,23) |
| InChIKey |
KJFLQXSDUPXZPQ-UHFFFAOYSA-N |
| Molecular Weight |
413.152 g/mol |
| SMILES |
C1(NC(C(F)(F)F)=O)=CC(=C(C=C1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873333 |
