| SpectraBase Compound ID | LOB28YXIBjw |
|---|---|
| InChI | InChI=1S/C11H9F5O2S/c1-19-4-2-3-18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3 |
| InChIKey | MKSFUAZEEQSRPY-UHFFFAOYSA-N |
| Mol Weight | 300.24 g/mol |
| Molecular Formula | C11H9F5O2S |
| Exact Mass | 300.024342 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EiCdAeYshaC |
|---|---|
| Name | 3-(Methylthio)propyl 2,3,4,5,6-pentafluorobenzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.024341517 u |
| Formula | C11H9F5O2S |
| InChI | InChI=1S/C11H9F5O2S/c1-19-4-2-3-18-11(17)5-6(12)8(14)10(16)9(15)7(5)13/h2-4H2,1H3 |
| InChIKey | MKSFUAZEEQSRPY-UHFFFAOYSA-N |
| Molecular Weight | 300.243 g/mol |
| SMILES | CSCCCOC(C1=C(C(=C(C(=C1F)F)F)F)F)=O |