| SpectraBase Spectrum ID |
9JlSgZef2Iz |
| Name |
3-Trifluoromethyl-N-(2,4,7-trinitrofluorenylidene)aniline |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
458.047418509 u |
| Formula |
C20H9F3N4O6 |
| InChI |
InChI=1S/C20H9F3N4O6/c21-20(22,23)10-2-1-3-11(6-10)24-19-15-7-12(25(28)29)4-5-14(15)18-16(19)8-13(26(30)31)9-17(18)27(32)33/h1-9H/b24-19- |
| InChIKey |
WESXMULILIDNAN-CLCOLTQESA-N |
| Molecular Weight |
458.309 g/mol |
| SMILES |
C1=2\C(C3=C(C2C(N(=O)=O)=CC(N(=O)=O)=C1)C=CC(=C3)N(=O)=O)=N/C=1C=C(C(F)(F)F)C=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.95812 |
