| SpectraBase Spectrum ID |
Avqhd0oD2Zk |
| Name |
6-(2-Chloro-4-nitro-anilino)hexyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
505.097595535 u |
| Formula |
C19H19ClF3N5O6 |
| InChI |
InChI=1S/C19H19ClF3N5O6/c20-14-11-13(26(29)30)5-6-15(14)24-7-3-1-2-4-8-25-18-16(27(31)32)9-12(19(21,22)23)10-17(18)28(33)34/h5-6,9-11,24-25H,1-4,7-8H2 |
| InChIKey |
TWYKOUFMVQUCDY-UHFFFAOYSA-N |
| Molecular Weight |
505.838 g/mol |
| SMILES |
C=1(C(=C(N(=O)=O)C=C(C(F)(F)F)C1)NCCCCCCNC1=C(C=C(N(=O)=O)C=C1)Cl)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.826268 |
![6-(2-Chloro-4-nitro-anilino)hexyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine](/api/spectrum/Avqhd0oD2Zk/structure.png?h=300&w=458 "6-(2-Chloro-4-nitro-anilino)hexyl-[2,6-dinitro-4-(trifluoromethyl)phenyl]amine")
