| SpectraBase Compound ID | 1qZOoB9xS9C |
|---|---|
| InChI | InChI=1S/C11H16S/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | BTNRQGYYIMWJRV-UHFFFAOYSA-N |
| Mol Weight | 180.31 g/mol |
| Molecular Formula | C11H16S |
| Exact Mass | 180.097272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5PDc7GhDI08 |
|---|---|
| Name | (Butylthio)methylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.097271689 u |
| Formula | C11H16S |
| InChI | InChI=1S/C11H16S/c1-2-3-9-12-10-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3 |
| InChIKey | BTNRQGYYIMWJRV-UHFFFAOYSA-N |
| Molecular Weight | 180.309 g/mol |
| SMILES | C(SCCCC)C=1C=CC=CC1 |