| SpectraBase Spectrum ID |
1or0v7MVcZC |
| Name |
4-Fluoroaniline, N-pentafluoropropionyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
257.027532762 u |
| Formula |
C9H5F6NO |
| InChI |
InChI=1S/C9H5F6NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17) |
| InChIKey |
PBUZXWZWAZFUOL-UHFFFAOYSA-N |
| Molecular Weight |
257.135 g/mol |
| SMILES |
C1=C(C=CC(=C1)F)NC(=O)C(F)(C(F)(F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930486 |
