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![3-[(p-FLUOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE](/api/spectrum/7dZr5xCOmwS/structure.png?h=300&w=458 "3-[(p-FLUOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE")
| SpectraBase Compound ID | 9hBAJh9sHko |
|---|---|
| InChI | InChI=1S/C12H9FN2S2/c1-8-11(6-14)12(15-17-8)16-7-9-2-4-10(13)5-3-9/h2-5H,7H2,1H3 |
| InChIKey | FRBRFOBVGLKTMX-UHFFFAOYSA-N |
| Mol Weight | 264.34 g/mol |
| Molecular Formula | C12H9FN2S2 |
| Exact Mass | 264.019119 g/mol |
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1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 7dZr5xCOmwS |
|---|---|
| Name | 3-[(p-FLUOROBENZYL)THIO]-5-METHYL-4-ISOTHIAZOLECARBONITRILE |
| Source of Sample | Bionet Research Ltd., Cornwall, England |
| Copyright | Copyright © 1991-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H9FN2S2 |
| InChI | InChI=1S/C12H9FN2S2/c1-8-11(6-14)12(15-17-8)16-7-9-2-4-10(13)5-3-9/h2-5H,7H2,1H3 |
| InChIKey | FRBRFOBVGLKTMX-UHFFFAOYSA-N |
| Instrument Name | BRUKER AC-300 |
| Melting Point | 86-88C |
| Molecular Weight | 264.35 |
| Solvent | CDCl3; Reference=TMS; Temperature 297K |
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