| SpectraBase Compound ID | CMjrIBVcVML |
|---|---|
| InChI | InChI=1S/C13H16F2OS/c1-2-3-4-7-17-9-13(16)11-6-5-10(14)8-12(11)15/h5-6,8H,2-4,7,9H2,1H3 |
| InChIKey | XLOIAGCRMOIKNS-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C13H16F2OS |
| Exact Mass | 258.088993 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8CAwtsxEH86 |
|---|---|
| Name | 2',4'-Difluoro-2-(pentylthio)acetophenone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.088992634 u |
| Formula | C13H16F2OS |
| InChI | InChI=1S/C13H16F2OS/c1-2-3-4-7-17-9-13(16)11-6-5-10(14)8-12(11)15/h5-6,8H,2-4,7,9H2,1H3 |
| InChIKey | XLOIAGCRMOIKNS-UHFFFAOYSA-N |
| Molecular Weight | 258.327 g/mol |
| SMILES | C=1(C(=CC(=CC1)F)F)C(=O)CSCCCCC |