| SpectraBase Spectrum ID |
AiT9a8I6brs |
| Name |
2,4-Dinitroaniline, N-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.003917377 u |
| Formula |
C10H4F7N3O5 |
| InChI |
InChI=1S/C10H4F7N3O5/c11-8(12,9(13,14)10(15,16)17)7(21)18-5-2-1-4(19(22)23)3-6(5)20(24)25/h1-3H,(H,18,21) |
| InChIKey |
URKVJKJVRNVZHO-UHFFFAOYSA-N |
| Molecular Weight |
379.147 g/mol |
| SMILES |
C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C=C1)N(=O)=O)N(=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.828847 |
