| SpectraBase Compound ID | BbSd50x8Y1d |
|---|---|
| InChI | InChI=1S/C14H10FNS/c15-13-5-7-14(8-6-13)17-10-12-3-1-11(9-16)2-4-12/h1-8H,10H2 |
| InChIKey | HGPPXVUARRDDAU-UHFFFAOYSA-N |
| Mol Weight | 243.3 g/mol |
| Molecular Formula | C14H10FNS |
| Exact Mass | 243.051799 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xflKE0Hui1 |
|---|---|
| Name | 4-(4-Fluoro-phenylsulfanylmethyl)-benzonitrile |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.051798663 u |
| Formula | C14H10FNS |
| InChI | InChI=1S/C14H10FNS/c15-13-5-7-14(8-6-13)17-10-12-3-1-11(9-16)2-4-12/h1-8H,10H2 |
| InChIKey | HGPPXVUARRDDAU-UHFFFAOYSA-N |
| Molecular Weight | 243.299 g/mol |
| SMILES | C(#N)C=1C=CC(CSC=2C=CC(F)=CC2)=CC1 |