![4-[(4-hydroxy-m-tolyl)thio]-o-touic acid, phenyl ester, benzoate](/api/spectrum/LwifZGC2K0Y/structure.png?h=300&w=458 "4-[(4-hydroxy-m-tolyl)thio]-o-touic acid, phenyl ester, benzoate")
| SpectraBase Compound ID | HuAq2030169 |
|---|---|
| InChI | InChI=1S/C28H22O4S/c1-19-17-23(13-15-25(19)28(30)31-22-11-7-4-8-12-22)33-24-14-16-26(20(2)18-24)32-27(29)21-9-5-3-6-10-21/h3-18H,1-2H3 |
| InChIKey | UHFNPRNWNSTEBS-UHFFFAOYSA-N |
| Mol Weight | 454.54 g/mol |
| Molecular Formula | C28H22O4S |
| Exact Mass | 454.12388 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LwifZGC2K0Y |
|---|---|
| Name | 4-[(4-hydroxy-m-tolyl)thio]-o-touic acid, phenyl ester, benzoate |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H22O4S |
| InChI | InChI=1S/C28H22O4S/c1-19-17-23(13-15-25(19)28(30)31-22-11-7-4-8-12-22)33-24-14-16-26(20(2)18-24)32-27(29)21-9-5-3-6-10-21/h3-18H,1-2H3 |
| InChIKey | UHFNPRNWNSTEBS-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 30989M |
| Solvent | CDCl3 |