| SpectraBase Compound ID | CyPX3PhRNeT |
|---|---|
| InChI | InChI=1S/C14H14OS/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | GGUMXGHTTKUDNB-UHFFFAOYSA-N |
| Mol Weight | 230.32 g/mol |
| Molecular Formula | C14H14OS |
| Exact Mass | 230.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6sWkChx9jxF |
|---|---|
| Name | Benzyl(4-methoxyphenyl)sulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 230.076536244 u |
| Formula | C14H14OS |
| InChI | InChI=1S/C14H14OS/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3 |
| InChIKey | GGUMXGHTTKUDNB-UHFFFAOYSA-N |
| Molecular Weight | 230.325 g/mol |
| SMILES | C1=CC(=CC=C1)CSC1=CC=C(C=C1)OC |