![BENZO[b]THIEN-3-YL HYDROXYMETHYL KETONE, alpha,alpha,alpha-TRIFLUORO-p-TOLUATE](/api/spectrum/4vYjRUCIzUA/structure.png?h=300&w=458 "BENZO[b]THIEN-3-YL HYDROXYMETHYL KETONE, alpha,alpha,alpha-TRIFLUORO-p-TOLUATE")
| SpectraBase Compound ID | ITsQjuNQARM |
|---|---|
| InChI | InChI=1S/C18H11F3O3S/c19-18(20,21)12-7-5-11(6-8-12)17(23)24-9-15(22)14-10-25-16-4-2-1-3-13(14)16/h1-8,10H,9H2 |
| InChIKey | LWNHOIBKDNNWKM-UHFFFAOYSA-N |
| Mol Weight | 364.34 g/mol |
| Molecular Formula | C18H11F3O3S |
| Exact Mass | 364.0381 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4vYjRUCIzUA |
|---|---|
| Name | benzo[b]thien-3-yl hydroxymethyl ketone, alpha,alpha,alpha-trifluoro-p-toluate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C18H11F3O3S |
| InChI | InChI=1S/C18H11F3O3S/c19-18(20,21)12-7-5-11(6-8-12)17(23)24-9-15(22)14-10-25-16-4-2-1-3-13(14)16/h1-8,10H,9H2 |
| InChIKey | LWNHOIBKDNNWKM-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 56535M |
| Solvent | CDCl3 |