| SpectraBase Compound ID | LQxk9dtOI8v |
|---|---|
| InChI | InChI=1S/C14H15F5OS/c1-12(2,3)10-6-4-9(5-7-10)8-21-11(20)13(15,16)14(17,18)19/h4-7H,8H2,1-3H3 |
| InChIKey | QLIQGLJCAADTMW-UHFFFAOYSA-N |
| Mol Weight | 326.33 g/mol |
| Molecular Formula | C14H15F5OS |
| Exact Mass | 326.076377 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ExpJcHSkJx5 |
|---|---|
| Name | 4-Tert-butylbenzyl mercaptan, S-pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.076377091 u |
| Formula | C14H15F5OS |
| InChI | InChI=1S/C14H15F5OS/c1-12(2,3)10-6-4-9(5-7-10)8-21-11(20)13(15,16)14(17,18)19/h4-7H,8H2,1-3H3 |
| InChIKey | QLIQGLJCAADTMW-UHFFFAOYSA-N |
| Molecular Weight | 326.325 g/mol |
| SMILES | C(SC(C(C(F)(F)F)(F)F)=O)C1=CC=C(C=C1)C(C)(C)C |