![[{2-carbamoyl-2-cyano-1-[(p-methylbenzyl)thio]vinyl}thio}acetic acid](/api/spectrum/GpVIcs7xF2d/structure.png?h=300&w=458 "[{2-carbamoyl-2-cyano-1-[(p-methylbenzyl)thio]vinyl}thio}acetic acid")
| SpectraBase Compound ID | JMw2AitNI2R |
|---|---|
| InChI | InChI=1S/C14H14N2O3S2/c1-9-2-4-10(5-3-9)7-20-14(21-8-12(17)18)11(6-15)13(16)19/h2-5H,7-8H2,1H3,(H2,16,19)(H,17,18) |
| InChIKey | KLHJBRRXPHFWGO-UHFFFAOYSA-N |
| Mol Weight | 322.4 g/mol |
| Molecular Formula | C14H14N2O3S2 |
| Exact Mass | 322.044585 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GpVIcs7xF2d |
|---|---|
| Name | [{2-carbamoyl-2-cyano-1-[(p-methylbenzyl)thio]vinyl}thio}acetic acid |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H14N2O3S2 |
| InChI | InChI=1S/C14H14N2O3S2/c1-9-2-4-10(5-3-9)7-20-14(21-8-12(17)18)11(6-15)13(16)19/h2-5H,7-8H2,1H3,(H2,16,19)(H,17,18) |
| InChIKey | KLHJBRRXPHFWGO-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 46357M |
| Solvent | DMSO-d6 |