| SpectraBase Spectrum ID |
CInfer9TWLg |
| Name |
2,3,4,5,6-Pentafluoro-N-(4-fluorophenyl)benzamide |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
305.027532762 u |
| Formula |
C13H5F6NO |
| InChI |
InChI=1S/C13H5F6NO/c14-5-1-3-6(4-2-5)20-13(21)7-8(15)10(17)12(19)11(18)9(7)16/h1-4H,(H,20,21) |
| InChIKey |
NXSQZVGPHXRXGT-UHFFFAOYSA-N |
| Molecular Weight |
305.179 g/mol |
| SMILES |
C1(=C(C(=C(C(=C1F)F)C(NC1=CC=C(C=C1)F)=O)F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951421 |
