| SpectraBase Compound ID | 9uPkCI6ujRj |
|---|---|
| InChI | InChI=1S/C16H13BrClNO3S2/c1-21-12-8-9(16-23-5-6-24-16)7-11(17)13(12)22-15(20)10-3-2-4-19-14(10)18/h2-4,7-8,16H,5-6H2,1H3 |
| InChIKey | OECBMMQAAKKDIK-UHFFFAOYSA-N |
| Mol Weight | 446.76 g/mol |
| Molecular Formula | C16H13BrClNO3S2 |
| Exact Mass | 444.920876 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HwFFgYc1CeB |
|---|---|
| Name | 2-chloronicotinic acid, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H13BrClNO3S2 |
| InChI | InChI=1S/C16H13BrClNO3S2/c1-21-12-8-9(16-23-5-6-24-16)7-11(17)13(12)22-15(20)10-3-2-4-19-14(10)18/h2-4,7-8,16H,5-6H2,1H3 |
| InChIKey | OECBMMQAAKKDIK-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56259M |
| Solvent | CDCl3 |