| SpectraBase Compound ID | 1bO8cVZZiqE |
|---|---|
| InChI | InChI=1S/C13H7F5OS/c14-12(15,13(16,17)18)11(19)20-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | IVRDLGFHMPTIPK-UHFFFAOYSA-N |
| Mol Weight | 306.25 g/mol |
| Molecular Formula | C13H7F5OS |
| Exact Mass | 306.013777 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8vBSmaAavHF |
|---|---|
| Name | 1-Naphthalenethiol, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 306.013776833 u |
| Formula | C13H7F5OS |
| InChI | InChI=1S/C13H7F5OS/c14-12(15,13(16,17)18)11(19)20-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | IVRDLGFHMPTIPK-UHFFFAOYSA-N |
| Molecular Weight | 306.250 g/mol |
| SMILES | C1(SC(C(C(F)(F)F)(F)F)=O)=C2C(=CC=C1)C=CC=C2 |