| SpectraBase Compound ID | 6whWMLORHYX |
|---|---|
| InChI | InChI=1S/C16H16O4S/c1-16(2,3)15(18)20-12-8-5-4-7-11(12)19-14(17)13-9-6-10-21-13/h4-10H,1-3H3 |
| InChIKey | SEJBAFLEHHIRBS-UHFFFAOYSA-N |
| Mol Weight | 304.36 g/mol |
| Molecular Formula | C16H16O4S |
| Exact Mass | 304.07693 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpBx67y3AoR |
|---|---|
| Name | 1,2-Benzenediol, o-(2-thiophenylcarbonyl)-o'-(pivaloyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.076930165 u |
| Formula | C16H16O4S |
| InChI | InChI=1S/C16H16O4S/c1-16(2,3)15(18)20-12-8-5-4-7-11(12)19-14(17)13-9-6-10-21-13/h4-10H,1-3H3 |
| InChIKey | SEJBAFLEHHIRBS-UHFFFAOYSA-N |
| Molecular Weight | 304.360 g/mol |
| SMILES | C1(=CC=CC=C1OC(C(C)(C)C)=O)OC(=O)C1=CC=CS1 |