| SpectraBase Compound ID | EGUN0mc1swP |
|---|---|
| InChI | InChI=1S/C14H14S/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | VCMADTQZCBWKAB-UHFFFAOYSA-N |
| Mol Weight | 214.33 g/mol |
| Molecular Formula | C14H14S |
| Exact Mass | 214.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L7SZJTpjjGa |
|---|---|
| Name | Benzyl p-tolyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 214.081621625 u |
| Formula | C14H14S |
| InChI | InChI=1S/C14H14S/c1-12-7-9-14(10-8-12)15-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3 |
| InChIKey | VCMADTQZCBWKAB-UHFFFAOYSA-N |
| Molecular Weight | 214.326 g/mol |
| SMILES | C=1C(=CC=C(C1)C)SCC=1C=CC=CC1 |