| SpectraBase Spectrum ID |
GSHez1NteqJ |
| Name |
2,3,5,6-Tetrafluoro-4-(1-oxopropyl)benzonitrile |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
231.030726436 u |
| Formula |
C10H5F4NO |
| InChI |
InChI=1S/C10H5F4NO/c1-2-5(16)6-9(13)7(11)4(3-15)8(12)10(6)14/h2H2,1H3 |
| InChIKey |
LQBRKSFFGZNIDD-UHFFFAOYSA-N |
| Molecular Weight |
231.150 g/mol |
| SMILES |
C=1(C(=C(F)C(=C(C1F)F)C#N)F)C(=O)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.869467 |
