![3,5-bis[(p-nitrobenzyl)thio]-4-isothiazolecarbonitrile](/api/spectrum/KMmoDlbrXtb/structure.png?h=300&w=458 "3,5-bis[(p-nitrobenzyl)thio]-4-isothiazolecarbonitrile")
| SpectraBase Compound ID | 7SgahB1XHcb |
|---|---|
| InChI | InChI=1S/C18H12N4O4S3/c19-9-16-17(27-10-12-1-5-14(6-2-12)21(23)24)20-29-18(16)28-11-13-3-7-15(8-4-13)22(25)26/h1-8H,10-11H2 |
| InChIKey | MORIEZVIIBHGJZ-UHFFFAOYSA-N |
| Mol Weight | 444.5 g/mol |
| Molecular Formula | C18H12N4O4S3 |
| Exact Mass | 444.002068 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KMmoDlbrXtb |
|---|---|
| Name | 3,5-bis[(p-nitrobenzyl)thio]-4-isothiazolecarbonitrile |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H12N4O4S3 |
| InChI | InChI=1S/C18H12N4O4S3/c19-9-16-17(27-10-12-1-5-14(6-2-12)21(23)24)20-29-18(16)28-11-13-3-7-15(8-4-13)22(25)26/h1-8H,10-11H2 |
| InChIKey | MORIEZVIIBHGJZ-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 43895M |
| Solvent | Polysol-d |