| SpectraBase Compound ID | 59xM1J9D3fv |
|---|---|
| InChI | InChI=1S/C12H11N3S/c1-7-4-3-5-8(2)10(7)11-9(6-13)12(14)15-16-11/h3-5H,1-2H3,(H2,14,15) |
| InChIKey | CUGICFDSNHDLGW-UHFFFAOYSA-N |
| Mol Weight | 229.3 g/mol |
| Molecular Formula | C12H11N3S |
| Exact Mass | 229.067369 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KxokR0FsHB5 |
|---|---|
| Name | 3-Amino-5-(2,6-dimethylphenyl)-1H-isothiazole-4-carbonitrile |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H11N3S |
| InChI | InChI=1S/C12H11N3S/c1-7-4-3-5-8(2)10(7)11-9(6-13)12(14)15-16-11/h3-5H,1-2H3,(H2,14,15) |
| InChIKey | CUGICFDSNHDLGW-UHFFFAOYSA-N |
| Molecular Weight | 229.301 g/mol |
| SMILES | Nc1c(c(sn1)-c1c(cccc1C)C)C#N |
| SPLASH | splash10-004i-0490000000-5ff645a44c663fd962ce |
| Source of Spectrum | F-65-7033-53 |
| Wiley ID | 1680299 |