![benzo[b]thiophene-2-carboxylic acid, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl ester](/api/spectrum/G2euoL0xonh/structure.png?h=300&w=458 "benzo[b]thiophene-2-carboxylic acid, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl ester")
| SpectraBase Compound ID | 4JqeEfXoeXq |
|---|---|
| InChI | InChI=1S/C19H15BrO3S3/c1-22-14-9-12(19-24-6-7-25-19)8-13(20)17(14)23-18(21)16-10-11-4-2-3-5-15(11)26-16/h2-5,8-10,19H,6-7H2,1H3 |
| InChIKey | UGSMDUZEJAMSEF-UHFFFAOYSA-N |
| Mol Weight | 467.41 g/mol |
| Molecular Formula | C19H15BrO3S3 |
| Exact Mass | 465.936671 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G2euoL0xonh |
|---|---|
| Name | benzo[b]thiophene-2-carboxylic acid, 2-bromo-4-(1,3-dithiolan-2-yl)-6-methoxyphenyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H15BrO3S3 |
| InChI | InChI=1S/C19H15BrO3S3/c1-22-14-9-12(19-24-6-7-25-19)8-13(20)17(14)23-18(21)16-10-11-4-2-3-5-15(11)26-16/h2-5,8-10,19H,6-7H2,1H3 |
| InChIKey | UGSMDUZEJAMSEF-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56258M |
| Solvent | CDCl3 |