| SpectraBase Compound ID | FGSeEVAkHxr |
|---|---|
| InChI | InChI=1S/C12H15BrOS/c1-12(2,3)11(14)15-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey | LFZDPPPIKJUUSU-UHFFFAOYSA-N |
| Mol Weight | 287.22 g/mol |
| Molecular Formula | C12H15BrOS |
| Exact Mass | 286.002699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNB6ZT48Im9 |
|---|---|
| Name | 4-Bromobenzylmercaptan, S-trimethylacetyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.002699276 u |
| Formula | C12H15BrOS |
| InChI | InChI=1S/C12H15BrOS/c1-12(2,3)11(14)15-8-9-4-6-10(13)7-5-9/h4-7H,8H2,1-3H3 |
| InChIKey | LFZDPPPIKJUUSU-UHFFFAOYSA-N |
| Molecular Weight | 287.215 g/mol |
| SMILES | C(SC(C(C)(C)C)=O)C1=CC=C(C=C1)Br |