| SpectraBase Compound ID | Ioj8TCgGVa0 |
|---|---|
| InChI | InChI=1S/C9H6ClF3OS/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | ZPKGWHSBDGXXDA-UHFFFAOYSA-N |
| Mol Weight | 254.65 g/mol |
| Molecular Formula | C9H6ClF3OS |
| Exact Mass | 253.977998 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xJgzxVB1Tv |
|---|---|
| Name | 4-Chlorobenzyl mercaptan, S-trifluoroacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.977998175 u |
| Formula | C9H6ClF3OS |
| InChI | InChI=1S/C9H6ClF3OS/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2 |
| InChIKey | ZPKGWHSBDGXXDA-UHFFFAOYSA-N |
| Molecular Weight | 254.654 g/mol |
| SMILES | C(SC(C(F)(F)F)=O)C1=CC=C(C=C1)Cl |