| SpectraBase Spectrum ID |
Jd6MwKDuRks |
| Name |
2-(Trifluoromethyl)naphthalene-1,4-dione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
226.024163888 u |
| Formula |
C11H5F3O2 |
| InChI |
InChI=1S/C11H5F3O2/c12-11(13,14)8-5-9(15)6-3-1-2-4-7(6)10(8)16/h1-5H |
| InChIKey |
OBORPMPYHHKEFS-UHFFFAOYSA-N |
| Molecular Weight |
226.154 g/mol |
| SMILES |
C=1C=C2C(C=C(C(C2=CC1)=O)C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915103 |
