| SpectraBase Compound ID | DJLZi6NTPlt |
|---|---|
| InChI | InChI=1S/C16H14OS/c1-3-13-6-10-16(11-7-13)18-12-14-4-8-15(17-2)9-5-14/h1,4-11H,12H2,2H3 |
| InChIKey | VQCCYSKOSQKDQC-UHFFFAOYSA-N |
| Mol Weight | 254.35 g/mol |
| Molecular Formula | C16H14OS |
| Exact Mass | 254.076536 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JlTD3zyr3cI |
|---|---|
| Name | 4-(4-Methoxybenzylthio)phenylacetylene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.076536244 u |
| Formula | C16H14OS |
| InChI | InChI=1S/C16H14OS/c1-3-13-6-10-16(11-7-13)18-12-14-4-8-15(17-2)9-5-14/h1,4-11H,12H2,2H3 |
| InChIKey | VQCCYSKOSQKDQC-UHFFFAOYSA-N |
| Molecular Weight | 254.347 g/mol |
| SMILES | C(#C)C=1C=CC(=CC1)SCC=1C=CC(=CC1)OC |