| SpectraBase Spectrum ID |
782v21rZthB |
| Name |
5-Amino-2-fluoro-4-nitrobenzotrifluoride, N-acetyl |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
266.031454710 u |
| Formula |
C9H6F4N2O3 |
| InChI |
InChI=1S/C9H6F4N2O3/c1-4(16)14-7-2-5(9(11,12)13)6(10)3-8(7)15(17)18/h2-3H,1H3,(H,14,16) |
| InChIKey |
QYQLDWXMTFXIPJ-UHFFFAOYSA-N |
| Molecular Weight |
266.152 g/mol |
| SMILES |
C(C1=C(C=C(C(=C1)NC(=O)C)N(=O)=O)F)(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.829744 |
