| SpectraBase Compound ID | 2f7NWp6CEvv |
|---|---|
| InChI | InChI=1S/C14H11Cl2FS/c1-9-5-14(13(16)7-12(9)15)18-8-10-3-2-4-11(17)6-10/h2-7H,8H2,1H3 |
| InChIKey | VXGJKGVLELQVFD-UHFFFAOYSA-N |
| Mol Weight | 301.21 g/mol |
| Molecular Formula | C14H11Cl2FS |
| Exact Mass | 299.994255 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dsa3YSKMhY0 |
|---|---|
| Name | 4,6-Dichloro-m-tolyl m-fluorobenzyl sulfide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.994255091 u |
| Formula | C14H11Cl2FS |
| InChI | InChI=1S/C14H11Cl2FS/c1-9-5-14(13(16)7-12(9)15)18-8-10-3-2-4-11(17)6-10/h2-7H,8H2,1H3 |
| InChIKey | VXGJKGVLELQVFD-UHFFFAOYSA-N |
| Molecular Weight | 301.206 g/mol |
| SMILES | C1=C(C(=CC(=C1Cl)C)SCC=1C=C(C=CC1)F)Cl |