| SpectraBase Compound ID | 4xEszVnzmJs |
|---|---|
| InChI | InChI=1S/C18H29BrS/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(19)13-15-18/h12-15H,2-11,16H2,1H3 |
| InChIKey | PJLGRZLEESDJEM-UHFFFAOYSA-N |
| Mol Weight | 357.39 g/mol |
| Molecular Formula | C18H29BrS |
| Exact Mass | 356.117335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IdzeNNgNxM5 |
|---|---|
| Name | 1-(4-Bromophenylthio)dodecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.117335108 u |
| Formula | C18H29BrS |
| InChI | InChI=1S/C18H29BrS/c1-2-3-4-5-6-7-8-9-10-11-16-20-18-14-12-17(19)13-15-18/h12-15H,2-11,16H2,1H3 |
| InChIKey | PJLGRZLEESDJEM-UHFFFAOYSA-N |
| Molecular Weight | 357.394 g/mol |
| SMILES | C1(Br)=CC=C(SCCCCCCCCCCCC)C=C1 |