| SpectraBase Compound ID | 9U1YPHIcNX3 |
|---|---|
| InChI | InChI=1S/C10H7F5OS2/c1-17-6-2-4-7(5-3-6)18-8(16)9(11,12)10(13,14)15/h2-5H,1H3 |
| InChIKey | SNNMTZUIDILKBW-UHFFFAOYSA-N |
| Mol Weight | 302.28 g/mol |
| Molecular Formula | C10H7F5OS2 |
| Exact Mass | 301.985848 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kxvy4KxTeOy |
|---|---|
| Name | 4-(Methylsulfanyl)thiophenol, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.985848007 u |
| Formula | C10H7F5OS2 |
| InChI | InChI=1S/C10H7F5OS2/c1-17-6-2-4-7(5-3-6)18-8(16)9(11,12)10(13,14)15/h2-5H,1H3 |
| InChIKey | SNNMTZUIDILKBW-UHFFFAOYSA-N |
| Molecular Weight | 302.277 g/mol |
| SMILES | CSC1=CC=C(C=C1)SC(C(C(F)(F)F)(F)F)=O |