| SpectraBase Spectrum ID |
CWnfTtbdLvX |
| Name |
3,4-Dihydro-7-nitro-3-[4-[trifluoromethyl]phenyl]-1,9(2H,10H)-acridinedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
402.082741392 u |
| Formula |
C20H13F3N2O4 |
| InChI |
InChI=1S/C20H13F3N2O4/c21-20(22,23)12-3-1-10(2-4-12)11-7-16-18(17(26)8-11)19(27)14-9-13(25(28)29)5-6-15(14)24-16/h1-6,9,11H,7-8H2,(H,24,27) |
| InChIKey |
VBCUCKNTKJMFBX-UHFFFAOYSA-N |
| Molecular Weight |
402.329 g/mol |
| SMILES |
C12=C(C(C3=C(N2)CC(CC3=O)C2=CC=C(C=C2)C(F)(F)F)=O)C=C(C=C1)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.864689 |
![3,4-Dihydro-7-nitro-3-[4-[trifluoromethyl]phenyl]-1,9(2H,10H)-acridinedione](/api/spectrum/CWnfTtbdLvX/structure.png?h=300&w=458 "3,4-Dihydro-7-nitro-3-[4-[trifluoromethyl]phenyl]-1,9(2H,10H)-acridinedione")
