| SpectraBase Compound ID | AzaR0lIAjgd |
|---|---|
| InChI | InChI=1S/C16H9F5OS/c17-15(18,16(19,20)21)14(22)23-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H |
| InChIKey | NLLJRAOJUCIAOY-UHFFFAOYSA-N |
| Mol Weight | 344.3 g/mol |
| Molecular Formula | C16H9F5OS |
| Exact Mass | 344.029427 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 | 52Pu4qF379o |
|---|---|
| Name | 9-Mercaptofluorene, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 344.029426898 u |
| Formula | C16H9F5OS |
| InChI | InChI=1S/C16H9F5OS/c17-15(18,16(19,20)21)14(22)23-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H |
| InChIKey | NLLJRAOJUCIAOY-UHFFFAOYSA-N |
| Molecular Weight | 344.299 g/mol |
| SMILES | C1(SC(C(C(F)(F)F)(F)F)=O)C2=C(C=CC=C2)C=2C1=CC=CC2 |