| SpectraBase Compound ID | 3ELr1vRN5fA |
|---|---|
| InChI | InChI=1S/C17H14S/c1-15-7-9-17(10-8-15)12-14-18-13-11-16-5-3-2-4-6-16/h2-10,12,14H,1H3/b14-12+ |
| InChIKey | BVSZFASNSZVBHK-WYMLVPIESA-N |
| Mol Weight | 250.36 g/mol |
| Molecular Formula | C17H14S |
| Exact Mass | 250.081622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D9LjO9fAmuU |
|---|---|
| Name | 4-Methylstyryl phenylethynyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 250.081621625 u |
| Formula | C17H14S |
| InChI | InChI=1S/C17H14S/c1-15-7-9-17(10-8-15)12-14-18-13-11-16-5-3-2-4-6-16/h2-10,12,14H,1H3/b14-12+ |
| InChIKey | BVSZFASNSZVBHK-WYMLVPIESA-N |
| Molecular Weight | 250.359 g/mol |
| SMILES | C(#CC=1C=CC=CC1)S\C=C\C=1C=CC(=CC1)C |