| SpectraBase Compound ID | 4gB2T2PmjxL |
|---|---|
| InChI | InChI=1S/C11H13FOS/c1-8(2)11(13)14-7-9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | ASYWCFKEEVUXCN-UHFFFAOYSA-N |
| Mol Weight | 212.28 g/mol |
| Molecular Formula | C11H13FOS |
| Exact Mass | 212.067114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GrVshfxn9yk |
|---|---|
| Name | 3-Fluorobenzyl mercaptan, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.067114375 u |
| Formula | C11H13FOS |
| InChI | InChI=1S/C11H13FOS/c1-8(2)11(13)14-7-9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | ASYWCFKEEVUXCN-UHFFFAOYSA-N |
| Molecular Weight | 212.282 g/mol |
| SMILES | C1(F)=CC(=CC=C1)CSC(C(C)C)=O |