| SpectraBase Compound ID | DvfxETnMbow |
|---|---|
| InChI | InChI=1S/C12H13F3O2S/c1-9(16)17-11(7-12(13,14)15)18-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3 |
| InChIKey | KHFWYNXFEHUQHN-UHFFFAOYSA-N |
| Mol Weight | 278.29 g/mol |
| Molecular Formula | C12H13F3O2S |
| Exact Mass | 278.058835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 3VCu1ddtymP |
|---|---|
| Name | (1-Benzylsulfanyl-3,3,3-trifluoro-propyl) acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.058835320 u |
| Formula | C12H13F3O2S |
| InChI | InChI=1S/C12H13F3O2S/c1-9(16)17-11(7-12(13,14)15)18-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3 |
| InChIKey | KHFWYNXFEHUQHN-UHFFFAOYSA-N |
| Molecular Weight | 278.289 g/mol |
| SMILES | C(CC(OC(=O)C)SCC=1C=CC=CC1)(F)(F)F |