| SpectraBase Compound ID | ACOxhWmx3Bk |
|---|---|
| InChI | InChI=1S/C16H18S/c1-2-12-17-16-10-8-15(9-11-16)13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | PTDJPTKXDDXGSX-UHFFFAOYSA-N |
| Mol Weight | 242.38 g/mol |
| Molecular Formula | C16H18S |
| Exact Mass | 242.112922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5feH0pKQ5y4 |
|---|---|
| Name | (4-Benzylphenyl)(propyl)sulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.112921754 u |
| Formula | C16H18S |
| InChI | InChI=1S/C16H18S/c1-2-12-17-16-10-8-15(9-11-16)13-14-6-4-3-5-7-14/h3-11H,2,12-13H2,1H3 |
| InChIKey | PTDJPTKXDDXGSX-UHFFFAOYSA-N |
| Molecular Weight | 242.380 g/mol |
| SMILES | C(SC=1C=CC(=CC1)CC=1C=CC=CC1)CC |