| SpectraBase Compound ID | EkgG8Jn5Cb |
|---|---|
| InChI | InChI=1S/C17H16OS/c1-14-7-11-17(12-8-14)19-13-16(18)10-9-15-5-3-2-4-6-15/h2-8,11-12,16,18H,13H2,1H3/t16-/m0/s1 |
| InChIKey | POYPHDXSWROOEI-INIZCTEOSA-N |
| Mol Weight | 268.37 g/mol |
| Molecular Formula | C17H16OS |
| Exact Mass | 268.092186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 75XLrQOSAvf |
|---|---|
| Name | (S)-4-Phenyl-1-(p-tolylsulfenyl)-3-butyn-2-ol |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.092186308 u |
| Formula | C17H16OS |
| InChI | InChI=1S/C17H16OS/c1-14-7-11-17(12-8-14)19-13-16(18)10-9-15-5-3-2-4-6-15/h2-8,11-12,16,18H,13H2,1H3/t16-/m0/s1 |
| InChIKey | POYPHDXSWROOEI-INIZCTEOSA-N |
| Molecular Weight | 268.374 g/mol |
| SMILES | C(#C[C@@](CSC1=CC=C(C=C1)C)(O)[H])C=1C=CC=CC1 |