| SpectraBase Compound ID | L9yHMi1seKO |
|---|---|
| InChI | InChI=1S/C11H13BrOS/c1-8(2)11(13)14-7-9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | LNGJQPFHSJIHOK-UHFFFAOYSA-N |
| Mol Weight | 273.19 g/mol |
| Molecular Formula | C11H13BrOS |
| Exact Mass | 271.987049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HtHkGNiyvve |
|---|---|
| Name | 3-Bromobenzyl mercaptan, S-(2-methylpropionyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 271.987049212 u |
| Formula | C11H13BrOS |
| InChI | InChI=1S/C11H13BrOS/c1-8(2)11(13)14-7-9-4-3-5-10(12)6-9/h3-6,8H,7H2,1-2H3 |
| InChIKey | LNGJQPFHSJIHOK-UHFFFAOYSA-N |
| SMILES | C(SC(C(C)C)=O)C1=CC(=CC=C1)Br |