![Acetic acid, trifluoro-, 1-[(phenylthio)methyl]propyl ester](/api/spectrum/HobThcruHXd/structure.png?h=300&w=458 "Acetic acid, trifluoro-, 1-[(phenylthio)methyl]propyl ester")
| SpectraBase Compound ID | FModU9xCQB6 |
|---|---|
| InChI | InChI=1S/C12H13F3O2S/c1-2-9(17-11(16)12(13,14)15)8-18-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3 |
| InChIKey | UWXRAVNQXXFSKA-UHFFFAOYSA-N |
| Mol Weight | 278.29 g/mol |
| Molecular Formula | C12H13F3O2S |
| Exact Mass | 278.058835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HobThcruHXd |
|---|---|
| Name | Acetic acid, trifluoro-, 1-[(phenylthio)methyl]propyl ester |
| 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/c1-2-9(17-11(16)12(13,14)15)8-18-10-6-4-3-5-7-10/h3-7,9H,2,8H2,1H3 |
| InChIKey | UWXRAVNQXXFSKA-UHFFFAOYSA-N |
| Molecular Weight | 278.289 g/mol |
| SMILES | C(C(OC(CSC=1C=CC=CC1)CC)=O)(F)(F)F |