SpectraBase Compound ID | HuAq2030169 |
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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 |
SpectraBase Spectrum ID | EXhQAECF2mo |
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Name | 4-[(4-hydroxy-m-tolyl)thio]-o-toluic acid, phenyl ester, benzoate |
Conditions | Neutral |
Copyright | Copyright © 2008-2024 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 |
Sadtler IR Number | 58168 |
Sadtler UV Number | 32238N |
Solvent | Methanol |