| SpectraBase Compound ID | 5ZPZ2pX7akd |
|---|---|
| InChI | InChI=1S/C20H17FS/c1-15-11-18(17-7-9-19(21)10-8-17)13-20(12-15)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3 |
| InChIKey | SMTRXYXCPAPMBV-UHFFFAOYSA-N |
| Mol Weight | 308.41 g/mol |
| Molecular Formula | C20H17FS |
| Exact Mass | 308.1035 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BM3SnHVKlRN |
|---|---|
| Name | Benzyl(4'-fluoro-5-methylbiphenyl-3-yl)sulfane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 308.103499884 u |
| Formula | C20H17FS |
| InChI | InChI=1S/C20H17FS/c1-15-11-18(17-7-9-19(21)10-8-17)13-20(12-15)22-14-16-5-3-2-4-6-16/h2-13H,14H2,1H3 |
| InChIKey | SMTRXYXCPAPMBV-UHFFFAOYSA-N |
| Molecular Weight | 308.414 g/mol |
| SMILES | C=1C(=CC(=CC1C=1C=CC(=CC1)F)SCC1=CC=CC=C1)C |