| SpectraBase Spectrum ID |
31ka6Z2u6Fx |
| Name |
2-Aminoanthraquinone, N-heptafluorobutyryl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
419.039240260 u |
| Formula |
C18H8F7NO3 |
| InChI |
InChI=1S/C18H8F7NO3/c19-16(20,17(21,22)18(23,24)25)15(29)26-8-5-6-11-12(7-8)14(28)10-4-2-1-3-9(10)13(11)27/h1-7H,(H,26,29) |
| InChIKey |
GYYYGLHPKJATPH-UHFFFAOYSA-N |
| Molecular Weight |
419.255 g/mol |
| SMILES |
C1(C2=C(C(C3=C1C=CC(=C3)NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=O)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862948 |
