| SpectraBase Compound ID | GRbI1WY6BMd |
|---|---|
| InChI | InChI=1S/C16H8F5NO2/c17-15(18,16(19,20)21)14(23)24-12-7-3-5-10-8-9-4-1-2-6-11(9)22-13(10)12/h1-8H |
| InChIKey | RFDGXSGSXXCWCS-UHFFFAOYSA-N |
| Mol Weight | 341.24 g/mol |
| Molecular Formula | C16H8F5NO2 |
| Exact Mass | 341.047519 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 4xG3Y1E0Cjy |
|---|---|
| Name | 4-Acridinol, pentafluoropropionate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 341.047519315 u |
| Formula | C16H8F5NO2 |
| InChI | InChI=1S/C16H8F5NO2/c17-15(18,16(19,20)21)14(23)24-12-7-3-5-10-8-9-4-1-2-6-11(9)22-13(10)12/h1-8H |
| InChIKey | RFDGXSGSXXCWCS-UHFFFAOYSA-N |
| Molecular Weight | 341.237 g/mol |
| SMILES | C12=NC3=C(C=C2C=CC=C1OC(C(C(F)(F)F)(F)F)=O)C=CC=C3 |