![3,5-bis[(p-methylphenacyl)thio]-4-isothiazolecarbonitrile](/api/spectrum/4z2KNnR2hZp/structure.png?h=300&w=458 "3,5-bis[(p-methylphenacyl)thio]-4-isothiazolecarbonitrile")
| SpectraBase Compound ID | 5712GzDwKKI |
|---|---|
| InChI | InChI=1S/C22H18N2O2S3/c1-14-3-7-16(8-4-14)19(25)12-27-21-18(11-23)22(29-24-21)28-13-20(26)17-9-5-15(2)6-10-17/h3-10H,12-13H2,1-2H3 |
| InChIKey | IZLDKTMEMDTULS-UHFFFAOYSA-N |
| Mol Weight | 438.58 g/mol |
| Molecular Formula | C22H18N2O2S3 |
| Exact Mass | 438.053041 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4z2KNnR2hZp |
|---|---|
| Name | 3,5-bis[(p-methylphenacyl)thio]-4-isothiazolecarbonitrile |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H18N2O2S3 |
| InChI | InChI=1S/C22H18N2O2S3/c1-14-3-7-16(8-4-14)19(25)12-27-21-18(11-23)22(29-24-21)28-13-20(26)17-9-5-15(2)6-10-17/h3-10H,12-13H2,1-2H3 |
| InChIKey | IZLDKTMEMDTULS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 27863M |
| Solvent | Polysol |